Protein Folding with Pyrosetta¶
In this tutorial, we will fold a protein structure using a very simple algorithm in PyRosetta, and compare the folded structure with the solved crystal structure of the protein.
Importing relevant libraries¶
We begin by importing the relevant libraries from Python. If running the following cell produces any errors or warnings, make sure you have followed all the steps in the "Setting up Pyrosetta" section.
In [1]:
import os
import glob
import shutil
import pandas as pd
import nglview as ngl
import pyrosetta as prs
prs.init()
from pyrosetta import rosetta
PyRosetta-4 2020 [Rosetta PyRosetta4.conda.linux.CentOS.python37.Release 2020.08+release.cb1cabafd7463ab703f6abf5efa33d2707b85924 2020-02-20T07:29:09] retrieved from: http://www.pyrosetta.org
(C) Copyright Rosetta Commons Member Institutions. Created in JHU by Sergey Lyskov and PyRosetta Team.
core.init: {0} Checking for fconfig files in pwd and ./rosetta/flags
core.init: {0} Rosetta version: PyRosetta4.conda.linux.CentOS.python37.Release r247 2020.08+release.cb1caba cb1cabafd7463ab703f6abf5efa33d2707b85924 http://www.pyrosetta.org 2020-02-20T07:29:09
core.init: {0} command: PyRosetta -ex1 -ex2aro -database /home/perry/miniconda3/envs/my_env/lib/python3.7/site-packages/pyrosetta/database
basic.random.init_random_generator: {0} 'RNG device' seed mode, using '/dev/urandom', seed=848455817 seed_offset=0 real_seed=848455817 thread_index=0
basic.random.init_random_generator: {0} RandomGenerator:init: Normal mode, seed=848455817 RG_type=mt19937
Setting up score functions that will be used across parts¶
In [2]:
scorefxn_low = prs.create_score_function('score3')
scorefxn_high = prs.get_fa_scorefxn()
basic.io.database: {0} Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt
basic.io.database: {0} Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt
basic.io.database: {0} Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt
basic.io.database: {0} Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt
basic.io.database: {0} Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.HS.resmooth
basic.io.database: {0} Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.SS.resmooth
core.scoring.ScoreFunctionFactory: {0} SCOREFUNCTION: ref2015
core.scoring.etable: {0} Starting energy table calculation
core.scoring.etable: {0} smooth_etable: changing atr/rep split to bottom of energy well
core.scoring.etable: {0} smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: {0} smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: {0} Finished calculating energy tables.
basic.io.database: {0} Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv
basic.io.database: {0} Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv
basic.io.database: {0} Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv
basic.io.database: {0} Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv
basic.io.database: {0} Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv
core.chemical.GlobalResidueTypeSet: {0} Finished initializing fa_standard residue type set. Created 980 residue types
core.chemical.GlobalResidueTypeSet: {0} Total time to initialize 1.07839 seconds.
basic.io.database: {0} Database file opened: scoring/score_functions/rama/fd/all.ramaProb
basic.io.database: {0} Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb
basic.io.database: {0} Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt
basic.io.database: {0} Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt
basic.io.database: {0} Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt
basic.io.database: {0} Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt
basic.io.database: {0} Database file opened: scoring/score_functions/P_AA_pp/P_AA
basic.io.database: {0} Database file opened: scoring/score_functions/P_AA_pp/P_AA_n
core.scoring.P_AA: {0} shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
basic.io.database: {0} Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop
Loading the native (solved crystal) structure¶
In [3]:
native_pose = prs.pose_from_pdb('data/1BL0/1BL0_chainA.pdb')
core.import_pose.import_pose: {0} File 'data/1BL0/1BL0_chainA.pdb' automatically determined to be of type PDB
We can check the amino acid sequence of the structure with a very simple command.
In [4]:
native_pose.sequence()
Out[4]:
'DAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMTEIAQKLKESNEPILYLAERYGFESQQTLTRTFKNYFDVPPHKYRMTNMQGESRFLHPL'
We can also assign the correct secondary structure.
In [5]:
DSSP = prs.rosetta.protocols.moves.DsspMover()
DSSP.apply(native_pose) # populates the pose's Pose.secstruct
protocols.DsspMover: {0} LHHHHHHHHHHHHLLLLLLLLLHHHHHHLLLLHHHHHHHHHHHHLLLHHHHHHHHHHHHHHHHHHHLLLLHHHHHHHHLLLLHHHHHHHHHHHHLLLHHHHHLLLLLLLLLLLLLL
Hint: The amino acids are also called residues!¶
Let's view more information about the first residue of the protein.
In [6]:
print(native_pose.residue(1))
Residue 1: ASP:NtermProteinFull (ASP, D): Base: ASP Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS SC_ORBITALS POLAR CHARGED NEGATIVE_CHARGE METALBINDING ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O 1H 2H 3H HA Side-chain atoms: CB CG OD1 OD2 1HB 2HB Atom Coordinates: N : 0.229, 36.012, 74.172 CA : 0.041, 35.606, 75.594 C : -0.096, 36.849, 76.498 O : -0.951, 36.895, 77.382 CB : 1.225, 34.718, 76.092 CG : 2.159, 34.156, 74.999 OD1: 1.688, 33.361, 74.151 OD2: 3.378, 34.497, 75.007 1H : 1.056, 35.74, 73.68 2H : -0.43, 35.723, 73.478 3H : 0.251, 36.981, 73.928 HA : -0.884, 35.037, 75.696 1HB : 1.839, 35.199, 76.854 2HB : 0.67, 33.892, 76.539 Mirrored relative to coordinates in ResidueType: FALSE
In [62]:
pose = prs.pose_from_sequence(native_pose.sequence())
test_pose = prs.Pose()
test_pose.assign(pose)
test_pose.pdb_info().name('Linearized Pose')
In [8]:
view = ngl.show_rosetta(test_pose)
view.add_ball_and_stick()
view # zoom in to see the atoms!
Defining movers to switch from full-atom to centroid representation¶
We will be using the centroid representation to perform rough and fast scoring in the initial stages of the folding algorithm. Later on, we will switch to the full atom represenation to do accurate minimization and get the final structures.
In [63]:
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_full_atom = prs.SwitchResidueTypeSetMover('fa_standard')
In [64]:
to_full_atom.apply(test_pose)
print('Full Atom Score:', scorefxn_high(test_pose))
to_centroid.apply(test_pose)
print('Centroid Score:', scorefxn_low(test_pose))
core.util.switchresiduetypeset: {0} [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes.
Full Atom Score: 46662.238534584234
Centroid Score: 454.1228630783549
Q: Visualize the centroid-only structure and see the difference with the full atom that we visualized above? Print again the information for the first residue and compare.¶
In [65]:
# here write the code to visualize the centroid only structure and print the information of the 1st residue
view = ngl.show_rosetta(test_pose)
view.add_ball_and_stick()
view # zoom in to see the atoms!
In [21]:
print(native_pose.residue(1))
print(test_pose.residue(1))
Residue 1: ASP:NtermProteinFull (ASP, D): Base: ASP Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS SC_ORBITALS POLAR CHARGED NEGATIVE_CHARGE METALBINDING ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O 1H 2H 3H HA Side-chain atoms: CB CG OD1 OD2 1HB 2HB Atom Coordinates: N : 0.229, 36.012, 74.172 CA : 0.041, 35.606, 75.594 C : -0.096, 36.849, 76.498 O : -0.951, 36.895, 77.382 CB : 1.225, 34.718, 76.092 CG : 2.159, 34.156, 74.999 OD1: 1.688, 33.361, 74.151 OD2: 3.378, 34.497, 75.007 1H : 1.056, 35.74, 73.68 2H : -0.43, 35.723, 73.478 3H : 0.251, 36.981, 73.928 HA : -0.884, 35.037, 75.696 1HB : 1.839, 35.199, 76.854 2HB : 0.67, 33.892, 76.539 Mirrored relative to coordinates in ResidueType: FALSE Residue 1: ASP:NtermProteinFull (ASP, D): Base: ASP Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS POLAR CHARGED NEGATIVE_CHARGE ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O H Side-chain atoms: CB CEN Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, -2.58987e-16 CB : 1.99452, -0.771871, -1.208 CEN: 2.35051, -1.69379, -1.45468 H : -0.5, -0.433013, -0.75 Mirrored relative to coordinates in ResidueType: FALSE
Setting up the folding algorithm¶
In [22]:
# Loading the files with the pre-computed fragmets
long_frag_filename = 'data/1BL0/9_fragments.txt'
long_frag_length = 9
short_frag_filename = 'data/1BL0/3_fragments.txt'
short_frag_length = 3
# Defining parameters of the folding algorithm
long_inserts=5 # How many 9-fragment pieces to insest during the search
short_inserts=10 # How many 3-fragment pieces to insest during the search
kT = 3.0 # Simulated Annealing temperature
cycles = 1000 # How many cycles of Monte Carlo search to run
jobs = 50 # How many trajectories in parallel to compute.
job_output = 'outputs/1BL0/decoy' # The prefix of the filenames to store the results
Loading the fragmets¶
In [23]:
movemap = prs.MoveMap()
movemap.set_bb(True)
fragset_long = rosetta.core.fragment.ConstantLengthFragSet(long_frag_length, long_frag_filename)
long_frag_mover = rosetta.protocols.simple_moves.ClassicFragmentMover(fragset_long, movemap)
fragset_short = rosetta.core.fragment.ConstantLengthFragSet(short_frag_length, short_frag_filename)
short_frag_mover = rosetta.protocols.simple_moves.ClassicFragmentMover(fragset_short, movemap)
insert_long_frag = prs.RepeatMover(long_frag_mover, long_inserts)
insert_short_frag = prs.RepeatMover(short_frag_mover, short_inserts)
core.fragments.ConstantLengthFragSet: {0} finished reading top 200 9mer fragments from file data/1BL0/9_fragments.txt
core.fragments.ConstantLengthFragSet: {0} finished reading top 200 3mer fragments from file data/1BL0/3_fragments.txt
Q: How many 9-mer and 3-mer fragmets do we have in our database?¶
In [37]:
print("Number of 9mers: ", fragset_long.size())
print("Number of 3mers: ", fragset_short.size())
Number of 9mers: 21600 Number of 3mers: 1600
Setting up the MonteCarlo search¶
In [42]:
# Making sure the structure is in centroid-only mode for the search
test_pose.assign(pose)
to_centroid.apply(test_pose)
In [43]:
# Defining what sequence of actions to do between each scoring step
folding_mover = prs.SequenceMover()
folding_mover.add_mover(insert_long_frag)
folding_mover.add_mover(insert_short_frag)
In [44]:
mc = prs.MonteCarlo(test_pose, scorefxn_low, kT)
trial = prs.TrialMover(folding_mover, mc)
In [45]:
# Setting up how many cycles of search to do in each trajectory
folding = prs.RepeatMover(trial, cycles)
Setting up the relax mover for the final stage¶
In [46]:
fast_relax_mover = prs.rosetta.protocols.relax.FastRelax(scorefxn_high)
protocols.relax.RelaxScriptManager: {0} Reading relax scripts list from database.
protocols.relax.RelaxScriptManager: {0} Looking for MonomerRelax2019.txt
protocols.relax.RelaxScriptManager: {0} ================== Reading script file: /home/perry/miniconda3/envs/my_env/lib/python3.7/site-packages/pyrosetta/database/sampling/relax_scripts/MonomerRelax2019.txt ==================
protocols.relax.RelaxScriptManager: {0} repeat %%nrepeats%%
protocols.relax.RelaxScriptManager: {0} coord_cst_weight 1.0
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 0.040
protocols.relax.RelaxScriptManager: {0} repack
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 0.051
protocols.relax.RelaxScriptManager: {0} min 0.01
protocols.relax.RelaxScriptManager: {0} coord_cst_weight 0.5
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 0.265
protocols.relax.RelaxScriptManager: {0} repack
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 0.280
protocols.relax.RelaxScriptManager: {0} min 0.01
protocols.relax.RelaxScriptManager: {0} coord_cst_weight 0.0
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 0.559
protocols.relax.RelaxScriptManager: {0} repack
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 0.581
protocols.relax.RelaxScriptManager: {0} min 0.01
protocols.relax.RelaxScriptManager: {0} coord_cst_weight 0.0
protocols.relax.RelaxScriptManager: {0} scale:fa_rep 1
protocols.relax.RelaxScriptManager: {0} repack
protocols.relax.RelaxScriptManager: {0} min 0.00001
protocols.relax.RelaxScriptManager: {0} accept_to_best
protocols.relax.RelaxScriptManager: {0} endrepeat
Running the folding algorithm!¶
In [47]:
scores = [0] * (jobs + 1)
scores[0] = scorefxn_low(test_pose)
In [48]:
if os.path.isdir(os.path.dirname(job_output)):
shutil.rmtree(os.path.dirname(job_output), ignore_errors=True)
os.makedirs(os.path.dirname(job_output))
jd = prs.PyJobDistributor(job_output, nstruct=jobs, scorefxn=scorefxn_high)
Working on decoy: outputs/1BL0/decoy_43.pdb
In [49]:
counter = 0
while not jd.job_complete:
# a. set necessary variables for the new trajectory
# -reload the starting pose
test_pose.assign(pose)
to_centroid.apply(test_pose)
# -change the pose's PDBInfo.name, for the PyMOL_Observer
counter += 1
test_pose.pdb_info().name(job_output + '_' + str(counter))
# -reset the MonteCarlo object (sets lowest_score to that of test_pose)
mc.reset(test_pose)
#### if you create a custom protocol, you may have additional
#### variables to reset, such as kT
#### if you create a custom protocol, this section will most likely
#### change, many protocols exist as single Movers or can be
#### chained together in a sequence (see above) so you need
#### only apply the final Mover
# b. apply the refinement protocol
folding.apply(test_pose)
####
# c. export the lowest scoring decoy structure for this trajectory
# -recover the lowest scoring decoy structure
mc.recover_low(test_pose)
# -store the final score for this trajectory
# -convert the decoy to fullatom
# the sidechain conformations will all be default,
# normally, the decoys would NOT be converted to fullatom before
# writing them to PDB (since a large number of trajectories would
# be considered and their fullatom score are unnecessary)
# here the fullatom mode is reproduced to make the output easier to
# understand and manipulate, PyRosetta can load in PDB files of
# centroid structures, however you must convert to fullatom for
# nearly any other application
to_full_atom.apply(test_pose)
fast_relax_mover.apply(test_pose)
scores[counter] = scorefxn_high(test_pose)
# -output the fullatom decoy structure into a PDB file
jd.output_decoy(test_pose)
# -export the final structure to PyMOL
test_pose.pdb_info().name(job_output + '_' + str(counter) + '_fa')
protocols.relax.FastRelax: {0} CMD: repeat 75627.8 0 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75627.8 0 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7495.93 0 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2633 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
basic.thread_manager.RosettaThreadManager: {?} Creating a thread pool of 8 threads.
basic.thread_manager.RosettaThreadPool: {?} Launched 7 new threads.
basic.thread_manager.RosettaThread: {1} Launching thread 1.
basic.thread_manager.RosettaThread: {5} Launching thread 5.
basic.thread_manager.RosettaThread: {4} Launching thread 4.
basic.thread_manager.RosettaThread: {2} Launching thread 2.
basic.random.init_random_generator: {1} 'RNG device' seed mode, using '/dev/urandom', seed=999169264 seed_offset=0 real_seed=999169265 thread_index=1
basic.random.init_random_generator: {1} RandomGenerator:init: Normal mode, seed=999169265 RG_type=mt19937
basic.thread_manager.RosettaThread: {7} Launching thread 7.
basic.thread_manager.RosettaThread: {6} Launching thread 6.
basic.random.init_random_generator: {2} 'RNG device' seed mode, using '/dev/urandom', seed=371121314 seed_offset=0 real_seed=371121316 thread_index=2
basic.random.init_random_generator: {2} RandomGenerator:init: Normal mode, seed=371121316 RG_type=mt19937
basic.random.init_random_generator: {4} 'RNG device' seed mode, using '/dev/urandom', seed=1468254847 seed_offset=0 real_seed=1468254851 thread_index=4
basic.random.init_random_generator: {4} RandomGenerator:init: Normal mode, seed=1468254851 RG_type=mt19937
basic.random.init_random_generator: {7} 'RNG device' seed mode, using '/dev/urandom', seed=-688384811 seed_offset=0 real_seed=-688384804 thread_index=7
basic.random.init_random_generator: {7} RandomGenerator:init: Normal mode, seed=-688384804 RG_type=mt19937
basic.random.init_random_generator: {6} 'RNG device' seed mode, using '/dev/urandom', seed=1870420000 seed_offset=0 real_seed=1870420006 thread_index=6
basic.thread_manager.RosettaThread: {3} Launching thread 3.
basic.random.init_random_generator: {3} 'RNG device' seed mode, using '/dev/urandom', seed=-1163224523 seed_offset=0 real_seed=-1163224520 thread_index=3
basic.random.init_random_generator: {3} RandomGenerator:init: Normal mode, seed=-1163224520 RG_type=mt19937
basic.random.init_random_generator: {6} RandomGenerator:init: Normal mode, seed=1870420006 RG_type=mt19937
basic.random.init_random_generator: {5} 'RNG device' seed mode, using '/dev/urandom', seed=1731586511 seed_offset=0 real_seed=1731586516 thread_index=5
basic.random.init_random_generator: {5} RandomGenerator:init: Normal mode, seed=1731586516 RG_type=mt19937
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 113.697 0 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 128.378 0 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -292.028 2.72559 2.72559 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.028 2.72559 2.72559 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.644 2.72559 2.72559 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3082 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -165.678 2.72559 2.72559 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.231 2.72559 2.72559 0.154
protocols.relax.FastRelax: {0} CMD: min -250.611 3.30932 3.30932 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.611 3.30932 3.30932 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.098 3.30932 3.30932 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2726 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.118 3.30932 3.30932 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.84 3.30932 3.30932 0.31955
protocols.relax.FastRelax: {0} CMD: min -219.178 3.17012 3.17012 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.178 3.17012 3.17012 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.634 3.17012 3.17012 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2491 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -180.154 3.17012 3.17012 0.55
protocols.relax.FastRelax: {0} CMD: min -211.853 3.40285 3.40285 0.55
protocols.relax.FastRelax: {0} MRP: 0 -211.853 -211.853 3.40285 3.40285
protocols.relax.FastRelax: {0} CMD: accept_to_best -211.853 3.40285 3.40285 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -211.853 3.40285 3.40285 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.853 3.40285 3.40285 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.416 3.40285 3.40285 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2794 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -286.926 3.40285 3.40285 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.477 3.40285 3.40285 0.02805
protocols.relax.FastRelax: {0} CMD: min -332.328 3.73312 3.73312 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -332.328 3.73312 3.73312 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.368 3.73312 3.73312 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3156 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -239.039 3.73312 3.73312 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.098 3.73312 3.73312 0.154
protocols.relax.FastRelax: {0} CMD: min -279.644 3.62194 3.62194 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.644 3.62194 3.62194 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.101 3.62194 3.62194 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2585 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -239.662 3.62194 3.62194 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.522 3.62194 3.62194 0.31955
protocols.relax.FastRelax: {0} CMD: min -245.31 3.4073 3.4073 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.31 3.4073 3.4073 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.53 3.4073 3.4073 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2417 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.588 3.4073 3.4073 0.55
protocols.relax.FastRelax: {0} CMD: min -229.451 3.42916 3.42916 0.55
protocols.relax.FastRelax: {0} MRP: 1 -229.451 -229.451 3.42916 3.42916
protocols.relax.FastRelax: {0} CMD: accept_to_best -229.451 3.42916 3.42916 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -229.451 3.42916 3.42916 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.451 3.42916 3.42916 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.572 3.42916 3.42916 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2858 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -301.047 3.42916 3.42916 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.979 3.42916 3.42916 0.02805
protocols.relax.FastRelax: {0} CMD: min -341.322 3.81881 3.81881 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -341.322 3.81881 3.81881 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.859 3.81881 3.81881 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3120 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -246.23 3.81881 3.81881 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.479 3.81881 3.81881 0.154
protocols.relax.FastRelax: {0} CMD: min -282.952 3.78049 3.78049 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.952 3.78049 3.78049 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.794 3.78049 3.78049 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2676 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -242.814 3.78049 3.78049 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.722 3.78049 3.78049 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.271 3.74811 3.74811 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.271 3.74811 3.74811 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.206 3.74811 3.74811 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2459 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.692 3.74811 3.74811 0.55
protocols.relax.FastRelax: {0} CMD: min -231.508 4.17127 4.17127 0.55
protocols.relax.FastRelax: {0} MRP: 2 -231.508 -231.508 4.17127 4.17127
protocols.relax.FastRelax: {0} CMD: accept_to_best -231.508 4.17127 4.17127 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -231.508 4.17127 4.17127 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.508 4.17127 4.17127 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.926 4.17127 4.17127 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2975 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -305.277 4.17127 4.17127 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.618 4.17127 4.17127 0.02805
protocols.relax.FastRelax: {0} CMD: min -349.809 4.57886 4.57886 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -349.809 4.57886 4.57886 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.437 4.57886 4.57886 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3205 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -242.924 4.57886 4.57886 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.214 4.57886 4.57886 0.154
protocols.relax.FastRelax: {0} CMD: min -292.087 4.5032 4.5032 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.087 4.5032 4.5032 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.278 4.5032 4.5032 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2872 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -254.022 4.5032 4.5032 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.933 4.5032 4.5032 0.31955
protocols.relax.FastRelax: {0} CMD: min -258.639 4.36556 4.36556 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.639 4.36556 4.36556 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.011 4.36556 4.36556 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2679 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.471 4.36556 4.36556 0.55
protocols.relax.FastRelax: {0} CMD: min -237.044 4.38274 4.38274 0.55
protocols.relax.FastRelax: {0} MRP: 3 -237.044 -237.044 4.38274 4.38274
protocols.relax.FastRelax: {0} CMD: accept_to_best -237.044 4.38274 4.38274 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -237.044 4.38274 4.38274 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.044 4.38274 4.38274 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.612 4.38274 4.38274 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2952 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -308.837 4.38274 4.38274 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.117 4.38274 4.38274 0.02805
protocols.relax.FastRelax: {0} CMD: min -353.674 4.81787 4.81787 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -353.674 4.81787 4.81787 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.533 4.81787 4.81787 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3201 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -253.14 4.81787 4.81787 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.071 4.81787 4.81787 0.154
protocols.relax.FastRelax: {0} CMD: min -294.624 4.74493 4.74493 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.624 4.74493 4.74493 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.38 4.74493 4.74493 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2850 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -254.749 4.74493 4.74493 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.629 4.74493 4.74493 0.31955
protocols.relax.FastRelax: {0} CMD: min -259.617 4.64115 4.64115 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.617 4.64115 4.64115 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.817 4.64115 4.64115 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2814 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.087 4.64115 4.64115 0.55
protocols.relax.FastRelax: {0} CMD: min -237.576 4.6623 4.6623 0.55
protocols.relax.FastRelax: {0} MRP: 4 -237.576 -237.576 4.6623 4.6623
protocols.relax.FastRelax: {0} CMD: accept_to_best -237.576 4.6623 4.6623 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -237.576 4.6623 4.6623 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_38.pdb
protocols.relax.FastRelax: {0} CMD: repeat 66731.5 17.5434 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 66731.5 17.5434 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6522.97 17.5434 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2574 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 155.839 17.5434 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 171.057 17.5434 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -239.709 17.339 3.41534 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.709 17.339 3.41534 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -115.047 17.339 3.41534 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2814 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -144.594 17.339 3.41534 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.517 17.339 3.41534 0.154
protocols.relax.FastRelax: {0} CMD: min -197.665 17.5609 3.43663 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.665 17.5609 3.43663 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -156.531 17.5609 3.43663 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2569 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -157.795 17.5609 3.43663 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -154.712 17.5609 3.43663 0.31955
protocols.relax.FastRelax: {0} CMD: min -176.947 17.536 3.52697 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.947 17.536 3.52697 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.208 17.536 3.52697 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2496 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -140.907 17.536 3.52697 0.55
protocols.relax.FastRelax: {0} CMD: min -165.452 17.7325 4.22911 0.55
protocols.relax.FastRelax: {0} MRP: 0 -165.452 -165.452 17.7325 4.22911
protocols.relax.FastRelax: {0} CMD: accept_to_best -165.452 17.7325 4.22911 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -165.452 17.7325 4.22911 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -165.452 17.7325 4.22911 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.189 17.7325 4.22911 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2738 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -240.643 17.7325 4.22911 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.016 17.7325 4.22911 0.02805
protocols.relax.FastRelax: {0} CMD: min -298.421 17.5675 4.31048 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -298.421 17.5675 4.31048 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.413 17.5675 4.31048 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2852 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.414 17.5675 4.31048 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.332 17.5675 4.31048 0.154
protocols.relax.FastRelax: {0} CMD: min -231.038 17.8447 4.06149 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.038 17.8447 4.06149 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.617 17.8447 4.06149 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2690 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -187.936 17.8447 4.06149 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.527 17.8447 4.06149 0.31955
protocols.relax.FastRelax: {0} CMD: min -195.068 17.9945 4.02202 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.068 17.9945 4.02202 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.177 17.9945 4.02202 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2613 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -150.214 17.9945 4.02202 0.55
protocols.relax.FastRelax: {0} CMD: min -185.993 18.2387 3.69483 0.55
protocols.relax.FastRelax: {0} MRP: 1 -185.993 -185.993 18.2387 3.69483
protocols.relax.FastRelax: {0} CMD: accept_to_best -185.993 18.2387 3.69483 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -185.993 18.2387 3.69483 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.993 18.2387 3.69483 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.561 18.2387 3.69483 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2569 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.615 18.2387 3.69483 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.515 18.2387 3.69483 0.02805
protocols.relax.FastRelax: {0} CMD: min -308.802 17.7906 3.57298 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.802 17.7906 3.57298 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.361 17.7906 3.57298 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2752 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.049 17.7906 3.57298 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.766 17.7906 3.57298 0.154
protocols.relax.FastRelax: {0} CMD: min -251.737 18.0288 3.4003 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.737 18.0288 3.4003 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.899 18.0288 3.4003 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2605 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.721 18.0288 3.4003 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.783 18.0288 3.4003 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.92 18.1066 3.32667 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.92 18.1066 3.32667 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.963 18.1066 3.32667 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2414 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -183.13 18.1066 3.32667 0.55
protocols.relax.FastRelax: {0} CMD: min -197.176 18.1534 3.11403 0.55
protocols.relax.FastRelax: {0} MRP: 2 -197.176 -197.176 18.1534 3.11403
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.176 18.1534 3.11403 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.176 18.1534 3.11403 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.176 18.1534 3.11403 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.973 18.1534 3.11403 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2602 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -270.619 18.1534 3.11403 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.692 18.1534 3.11403 0.02805
protocols.relax.FastRelax: {0} CMD: min -309.167 17.7612 3.33679 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.167 17.7612 3.33679 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.09 17.7612 3.33679 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2873 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.657 17.7612 3.33679 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.702 17.7612 3.33679 0.154
protocols.relax.FastRelax: {0} CMD: min -252.474 17.9701 3.27335 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.474 17.9701 3.27335 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.06 17.9701 3.27335 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2699 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.943 17.9701 3.27335 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.072 17.9701 3.27335 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.772 18.1004 3.21272 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.772 18.1004 3.21272 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.889 18.1004 3.21272 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2443 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -183.946 18.1004 3.21272 0.55
protocols.relax.FastRelax: {0} CMD: min -199.599 18.1506 3.08086 0.55
protocols.relax.FastRelax: {0} MRP: 3 -199.599 -199.599 18.1506 3.08086
protocols.relax.FastRelax: {0} CMD: accept_to_best -199.599 18.1506 3.08086 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -199.599 18.1506 3.08086 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.599 18.1506 3.08086 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.298 18.1506 3.08086 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2669 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -273.637 18.1506 3.08086 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.698 18.1506 3.08086 0.02805
protocols.relax.FastRelax: {0} CMD: min -310.937 17.603 3.21084 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.937 17.603 3.21084 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.081 17.603 3.21084 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2899 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -210.98 17.603 3.21084 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.156 17.603 3.21084 0.154
protocols.relax.FastRelax: {0} CMD: min -259.675 17.9691 3.33207 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.675 17.9691 3.33207 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.791 17.9691 3.33207 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2823 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.245 17.9691 3.33207 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.271 17.9691 3.33207 0.31955
protocols.relax.FastRelax: {0} CMD: min -226.815 18.0821 3.22351 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.815 18.0821 3.22351 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.929 18.0821 3.22351 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2525 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -187.371 18.0821 3.22351 0.55
protocols.relax.FastRelax: {0} CMD: min -204.065 18.1777 3.27673 0.55
protocols.relax.FastRelax: {0} MRP: 4 -204.065 -204.065 18.1777 3.27673
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.065 18.1777 3.27673 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.065 18.1777 3.27673 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_4.pdb
protocols.relax.FastRelax: {0} CMD: repeat 66106.2 14.1483 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 66106.2 14.1483 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6286.71 14.1483 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2642 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -55.3121 14.1483 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -35.1799 14.1483 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -201.631 14.0842 6.0424 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.631 14.0842 6.0424 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -38.0947 14.0842 6.0424 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2327 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -77.937 14.0842 6.0424 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -69.853 14.0842 6.0424 0.154
protocols.relax.FastRelax: {0} CMD: min -154.099 14.1031 6.26954 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -154.099 14.1031 6.26954 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -103.898 14.1031 6.26954 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2303 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -106.633 14.1031 6.26954 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -102.789 14.1031 6.26954 0.31955
protocols.relax.FastRelax: {0} CMD: min -120.718 14.0011 5.71148 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -120.718 14.0011 5.71148 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -71.7365 14.0011 5.71148 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2141 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -72.3394 14.0011 5.71148 0.55
protocols.relax.FastRelax: {0} CMD: min -140.73 13.5361 5.98884 0.55
protocols.relax.FastRelax: {0} MRP: 0 -140.73 -140.73 13.5361 5.98884
protocols.relax.FastRelax: {0} CMD: accept_to_best -140.73 13.5361 5.98884 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -140.73 13.5361 5.98884 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -140.73 13.5361 5.98884 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.476 13.5361 5.98884 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2324 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.572 13.5361 5.98884 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.227 13.5361 5.98884 0.02805
protocols.relax.FastRelax: {0} CMD: min -261.731 13.1724 5.23153 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.731 13.1724 5.23153 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -132.619 13.1724 5.23153 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2455 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.219 13.1724 5.23153 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -154.999 13.1724 5.23153 0.154
protocols.relax.FastRelax: {0} CMD: min -204.19 13.1902 5.50077 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.19 13.1902 5.50077 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.603 13.1902 5.50077 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2271 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.618 13.1902 5.50077 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.261 13.1902 5.50077 0.31955
protocols.relax.FastRelax: {0} CMD: min -167.277 13.328 5.83372 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -167.277 13.328 5.83372 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -122.074 13.328 5.83372 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2121 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -122.217 13.328 5.83372 0.55
protocols.relax.FastRelax: {0} CMD: min -154.191 13.763 7.57032 0.55
protocols.relax.FastRelax: {0} MRP: 1 -154.191 -154.191 13.763 7.57032
protocols.relax.FastRelax: {0} CMD: accept_to_best -154.191 13.763 7.57032 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -154.191 13.763 7.57032 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -154.191 13.763 7.57032 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.216 13.763 7.57032 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2302 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.1 13.763 7.57032 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.801 13.763 7.57032 0.02805
protocols.relax.FastRelax: {0} CMD: min -280.083 12.9106 6.44881 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.083 12.9106 6.44881 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.353 12.9106 6.44881 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2586 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.108 12.9106 6.44881 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.621 12.9106 6.44881 0.154
protocols.relax.FastRelax: {0} CMD: min -223.145 12.97 6.91466 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.145 12.97 6.91466 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.192 12.97 6.91466 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2382 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -178.291 12.97 6.91466 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.766 12.97 6.91466 0.31955
protocols.relax.FastRelax: {0} CMD: min -181.917 13.2476 6.94562 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -181.917 13.2476 6.94562 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -133.57 13.2476 6.94562 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2231 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -136.101 13.2476 6.94562 0.55
protocols.relax.FastRelax: {0} CMD: min -162.297 13.3867 7.95326 0.55
protocols.relax.FastRelax: {0} MRP: 2 -162.297 -162.297 13.3867 7.95326
protocols.relax.FastRelax: {0} CMD: accept_to_best -162.297 13.3867 7.95326 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -162.297 13.3867 7.95326 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -162.297 13.3867 7.95326 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.471 13.3867 7.95326 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2391 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.565 13.3867 7.95326 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.656 13.3867 7.95326 0.02805
protocols.relax.FastRelax: {0} CMD: min -267.31 12.7894 7.6788 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.31 12.7894 7.6788 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.684 12.7894 7.6788 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2519 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -198.3 12.7894 7.6788 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.638 12.7894 7.6788 0.154
protocols.relax.FastRelax: {0} CMD: min -215.074 12.6607 7.63703 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.074 12.6607 7.63703 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.799 12.6607 7.63703 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2460 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -176.059 12.6607 7.63703 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.72 12.6607 7.63703 0.31955
protocols.relax.FastRelax: {0} CMD: min -183.871 12.8304 7.63194 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -183.871 12.8304 7.63194 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -141.085 12.8304 7.63194 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2281 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -141.226 12.8304 7.63194 0.55
protocols.relax.FastRelax: {0} CMD: min -161.037 13.0325 7.31106 0.55
protocols.relax.FastRelax: {0} MRP: 3 -161.037 -162.297 13.3867 7.95326
protocols.relax.FastRelax: {0} CMD: accept_to_best -161.037 13.0325 7.31106 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -161.037 13.0325 7.31106 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -161.037 13.0325 7.31106 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.105 13.0325 7.31106 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2454 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -237.104 13.0325 7.31106 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.251 13.0325 7.31106 0.02805
protocols.relax.FastRelax: {0} CMD: min -276.167 12.2745 6.12981 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -276.167 12.2745 6.12981 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.307 12.2745 6.12981 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2794 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -176.489 12.2745 6.12981 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.871 12.2745 6.12981 0.154
protocols.relax.FastRelax: {0} CMD: min -226.193 12.3836 6.63093 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.193 12.3836 6.63093 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.763 12.3836 6.63093 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2489 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -183.577 12.3836 6.63093 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.126 12.3836 6.63093 0.31955
protocols.relax.FastRelax: {0} CMD: min -193.517 12.4764 6.73146 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.517 12.4764 6.73146 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -151.254 12.4764 6.73146 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2301 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -151.34 12.4764 6.73146 0.55
protocols.relax.FastRelax: {0} CMD: min -171.492 12.3317 5.85048 0.55
protocols.relax.FastRelax: {0} MRP: 4 -171.492 -171.492 12.3317 5.85048
protocols.relax.FastRelax: {0} CMD: accept_to_best -171.492 12.3317 5.85048 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -171.492 12.3317 5.85048 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_11.pdb
protocols.relax.FastRelax: {0} CMD: repeat 73219.6 13.8372 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73219.6 13.8372 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7449.43 13.8372 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3026 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 126.881 13.8372 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 146.475 13.8372 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -246.46 14.044 1.85865 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.46 14.044 1.85865 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -110.227 14.044 1.85865 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2971 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -127.845 14.044 1.85865 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.335 14.044 1.85865 0.154
protocols.relax.FastRelax: {0} CMD: min -206.315 14.0839 2.04816 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.315 14.0839 2.04816 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.399 14.0839 2.04816 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2866 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.832 14.0839 2.04816 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.367 14.0839 2.04816 0.31955
protocols.relax.FastRelax: {0} CMD: min -169.148 14.1114 2.04218 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -169.148 14.1114 2.04218 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -121.593 14.1114 2.04218 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2746 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -122.437 14.1114 2.04218 0.55
protocols.relax.FastRelax: {0} CMD: min -177.837 14.1206 2.10595 0.55
protocols.relax.FastRelax: {0} MRP: 0 -177.837 -177.837 14.1206 2.10595
protocols.relax.FastRelax: {0} CMD: accept_to_best -177.837 14.1206 2.10595 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -177.837 14.1206 2.10595 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.837 14.1206 2.10595 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.062 14.1206 2.10595 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2990 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -255.776 14.1206 2.10595 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.904 14.1206 2.10595 0.02805
protocols.relax.FastRelax: {0} CMD: min -297.971 14.0285 2.24232 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.971 14.0285 2.24232 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.131 14.0285 2.24232 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3170 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.558 14.0285 2.24232 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.32 14.0285 2.24232 0.154
protocols.relax.FastRelax: {0} CMD: min -248.309 14.0514 2.06453 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.309 14.0514 2.06453 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.026 14.0514 2.06453 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3089 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.313 14.0514 2.06453 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.312 14.0514 2.06453 0.31955
protocols.relax.FastRelax: {0} CMD: min -212.11 14.0486 2.02665 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.11 14.0486 2.02665 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -167.643 14.0486 2.02665 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2821 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -167.966 14.0486 2.02665 0.55
protocols.relax.FastRelax: {0} CMD: min -195.655 14.1492 2.18371 0.55
protocols.relax.FastRelax: {0} MRP: 1 -195.655 -195.655 14.1492 2.18371
protocols.relax.FastRelax: {0} CMD: accept_to_best -195.655 14.1492 2.18371 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -195.655 14.1492 2.18371 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.655 14.1492 2.18371 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.483 14.1492 2.18371 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3186 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -265.358 14.1492 2.18371 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.845 14.1492 2.18371 0.02805
protocols.relax.FastRelax: {0} CMD: min -308.858 14.0846 2.30848 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.858 14.0846 2.30848 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.03 14.0846 2.30848 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3170 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.377 14.0846 2.30848 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.164 14.0846 2.30848 0.154
protocols.relax.FastRelax: {0} CMD: min -258.101 14.1349 2.20236 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.101 14.1349 2.20236 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.184 14.1349 2.20236 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2918 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.264 14.1349 2.20236 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.05 14.1349 2.20236 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.466 14.13 2.13112 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.466 14.13 2.13112 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.445 14.13 2.13112 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2769 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.125 14.13 2.13112 0.55
protocols.relax.FastRelax: {0} CMD: min -198.477 14.1442 2.17258 0.55
protocols.relax.FastRelax: {0} MRP: 2 -198.477 -198.477 14.1442 2.17258
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.477 14.1442 2.17258 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.477 14.1442 2.17258 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.477 14.1442 2.17258 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.637 14.1442 2.17258 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3048 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.733 14.1442 2.17258 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.02 14.1442 2.17258 0.02805
protocols.relax.FastRelax: {0} CMD: min -308.451 14.0849 2.36245 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.451 14.0849 2.36245 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.488 14.0849 2.36245 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3102 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.934 14.0849 2.36245 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.988 14.0849 2.36245 0.154
protocols.relax.FastRelax: {0} CMD: min -257.186 14.101 2.24719 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.186 14.101 2.24719 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.216 14.101 2.24719 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3035 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.51 14.101 2.24719 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.453 14.101 2.24719 0.31955
protocols.relax.FastRelax: {0} CMD: min -225.232 14.125 2.21236 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.232 14.125 2.21236 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.817 14.125 2.21236 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2848 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -185.881 14.125 2.21236 0.55
protocols.relax.FastRelax: {0} CMD: min -197.907 14.1425 2.16923 0.55
protocols.relax.FastRelax: {0} MRP: 3 -197.907 -198.477 14.1442 2.17258
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.907 14.1425 2.16923 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.907 14.1425 2.16923 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.907 14.1425 2.16923 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.169 14.1425 2.16923 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3139 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -266.355 14.1425 2.16923 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.707 14.1425 2.16923 0.02805
protocols.relax.FastRelax: {0} CMD: min -310.198 14.0657 2.40167 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.198 14.0657 2.40167 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.161 14.0657 2.40167 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3166 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.772 14.0657 2.40167 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.189 14.0657 2.40167 0.154
protocols.relax.FastRelax: {0} CMD: min -256.142 14.1197 2.22589 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.142 14.1197 2.22589 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.225 14.1197 2.22589 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2868 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.707 14.1197 2.22589 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.615 14.1197 2.22589 0.31955
protocols.relax.FastRelax: {0} CMD: min -224.239 14.1332 2.20185 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.239 14.1332 2.20185 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.342 14.1332 2.20185 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2642 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -184.385 14.1332 2.20185 0.55
protocols.relax.FastRelax: {0} CMD: min -199.234 14.1476 2.16701 0.55
protocols.relax.FastRelax: {0} MRP: 4 -199.234 -199.234 14.1476 2.16701
protocols.relax.FastRelax: {0} CMD: accept_to_best -199.234 14.1476 2.16701 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -199.234 14.1476 2.16701 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_48.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71584.2 15.7623 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71584.2 15.7623 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7103.74 15.7623 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3334 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 101.421 15.7623 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 123.966 15.7623 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -233.809 15.6864 2.13331 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.809 15.6864 2.13331 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -101.962 15.6864 2.13331 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3184 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -138.129 15.6864 2.13331 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -132.284 15.6864 2.13331 0.154
protocols.relax.FastRelax: {0} CMD: min -214.534 15.4484 2.51194 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.534 15.4484 2.51194 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.082 15.4484 2.51194 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3228 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -181.527 15.4484 2.51194 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.552 15.4484 2.51194 0.31955
protocols.relax.FastRelax: {0} CMD: min -188.789 15.4549 2.57673 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -188.789 15.4549 2.57673 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.658 15.4549 2.57673 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3159 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -149.878 15.4549 2.57673 0.55
protocols.relax.FastRelax: {0} CMD: min -203.092 15.5613 3.06312 0.55
protocols.relax.FastRelax: {0} MRP: 0 -203.092 -203.092 15.5613 3.06312
protocols.relax.FastRelax: {0} CMD: accept_to_best -203.092 15.5613 3.06312 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -203.092 15.5613 3.06312 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.092 15.5613 3.06312 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.25 15.5613 3.06312 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3429 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.099 15.5613 3.06312 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.693 15.5613 3.06312 0.02805
protocols.relax.FastRelax: {0} CMD: min -319.787 15.308 2.87554 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.787 15.308 2.87554 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.206 15.308 2.87554 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3482 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.632 15.308 2.87554 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.775 15.308 2.87554 0.154
protocols.relax.FastRelax: {0} CMD: min -259.88 15.464 2.97787 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.88 15.464 2.97787 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.11 15.464 2.97787 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3211 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.804 15.464 2.97787 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.378 15.464 2.97787 0.31955
protocols.relax.FastRelax: {0} CMD: min -232.972 15.5453 3.04963 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.972 15.5453 3.04963 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.511 15.5453 3.04963 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2937 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -195.827 15.5453 3.04963 0.55
protocols.relax.FastRelax: {0} CMD: min -215.805 15.7846 3.16827 0.55
protocols.relax.FastRelax: {0} MRP: 1 -215.805 -215.805 15.7846 3.16827
protocols.relax.FastRelax: {0} CMD: accept_to_best -215.805 15.7846 3.16827 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -215.805 15.7846 3.16827 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.805 15.7846 3.16827 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.54 15.7846 3.16827 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3441 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -281.815 15.7846 3.16827 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.508 15.7846 3.16827 0.02805
protocols.relax.FastRelax: {0} CMD: min -315.555 15.4926 3.16493 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -315.555 15.4926 3.16493 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.527 15.4926 3.16493 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3839 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.581 15.4926 3.16493 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.487 15.4926 3.16493 0.154
protocols.relax.FastRelax: {0} CMD: min -268.761 15.6222 3.15019 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.761 15.6222 3.15019 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.687 15.6222 3.15019 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3446 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.285 15.6222 3.15019 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.33 15.6222 3.15019 0.31955
protocols.relax.FastRelax: {0} CMD: min -239.367 15.7233 3.26153 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.367 15.7233 3.26153 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.122 15.7233 3.26153 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3254 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.127 15.7233 3.26153 0.55
protocols.relax.FastRelax: {0} CMD: min -218.662 15.8292 3.23358 0.55
protocols.relax.FastRelax: {0} MRP: 2 -218.662 -218.662 15.8292 3.23358
protocols.relax.FastRelax: {0} CMD: accept_to_best -218.662 15.8292 3.23358 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -218.662 15.8292 3.23358 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.662 15.8292 3.23358 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.206 15.8292 3.23358 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3525 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -282.183 15.8292 3.23358 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.648 15.8292 3.23358 0.02805
protocols.relax.FastRelax: {0} CMD: min -319.944 15.5123 3.09844 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.944 15.5123 3.09844 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.542 15.5123 3.09844 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3793 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.593 15.5123 3.09844 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.609 15.5123 3.09844 0.154
protocols.relax.FastRelax: {0} CMD: min -270.826 15.6081 3.12072 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.826 15.6081 3.12072 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.147 15.6081 3.12072 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3532 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.623 15.6081 3.12072 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.571 15.6081 3.12072 0.31955
protocols.relax.FastRelax: {0} CMD: min -241.296 15.6974 3.1561 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.296 15.6974 3.1561 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.1 15.6974 3.1561 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3221 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -204.21 15.6974 3.1561 0.55
protocols.relax.FastRelax: {0} CMD: min -218.337 15.7334 3.16177 0.55
protocols.relax.FastRelax: {0} MRP: 3 -218.337 -218.662 15.8292 3.23358
protocols.relax.FastRelax: {0} CMD: accept_to_best -218.337 15.7334 3.16177 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -218.337 15.7334 3.16177 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.337 15.7334 3.16177 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.822 15.7334 3.16177 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3471 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -284.782 15.7334 3.16177 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.153 15.7334 3.16177 0.02805
protocols.relax.FastRelax: {0} CMD: min -321.793 15.4937 3.16863 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.793 15.4937 3.16863 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.843 15.4937 3.16863 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3717 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.835 15.4937 3.16863 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.427 15.4937 3.16863 0.154
protocols.relax.FastRelax: {0} CMD: min -271.911 15.5891 3.20258 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.911 15.5891 3.20258 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.978 15.5891 3.20258 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3501 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -234.395 15.5891 3.20258 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.344 15.5891 3.20258 0.31955
protocols.relax.FastRelax: {0} CMD: min -241.822 15.6907 3.26852 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.822 15.6907 3.26852 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.679 15.6907 3.26852 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3152 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.997 15.6907 3.26852 0.55
protocols.relax.FastRelax: {0} CMD: min -220.541 15.7037 3.25982 0.55
protocols.relax.FastRelax: {0} MRP: 4 -220.541 -220.541 15.7037 3.25982
protocols.relax.FastRelax: {0} CMD: accept_to_best -220.541 15.7037 3.25982 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -220.541 15.7037 3.25982 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_5.pdb
protocols.relax.FastRelax: {0} CMD: repeat 66045 15.4036 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 66045 15.4036 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7137.72 15.4036 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2276 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -89.4071 15.4036 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -60.1575 15.4036 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -123.341 16.3208 4.49939 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -123.341 16.3208 4.49939 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 623.099 16.3208 4.49939 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2500 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 412.22 16.3208 4.49939 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 452.205 16.3208 4.49939 0.154
protocols.relax.FastRelax: {0} CMD: min -200.12 15.2905 1.95821 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.12 15.2905 1.95821 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.653 15.2905 1.95821 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2283 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -160.991 15.2905 1.95821 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.567 15.2905 1.95821 0.31955
protocols.relax.FastRelax: {0} CMD: min -197.139 15.7732 2.71018 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.139 15.7732 2.71018 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.643 15.7732 2.71018 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2123 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -160.624 15.7732 2.71018 0.55
protocols.relax.FastRelax: {0} CMD: min -202.298 15.5179 3.06908 0.55
protocols.relax.FastRelax: {0} MRP: 0 -202.298 -202.298 15.5179 3.06908
protocols.relax.FastRelax: {0} CMD: accept_to_best -202.298 15.5179 3.06908 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -202.298 15.5179 3.06908 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.298 15.5179 3.06908 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.01 15.5179 3.06908 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2333 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -273.124 15.5179 3.06908 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.548 15.5179 3.06908 0.02805
protocols.relax.FastRelax: {0} CMD: min -277.688 15.3369 3.33276 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.688 15.3369 3.33276 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.583 15.3369 3.33276 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2235 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -248.032 15.3369 3.33276 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.465 15.3369 3.33276 0.154
protocols.relax.FastRelax: {0} CMD: min -248.508 15.4815 3.16351 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.508 15.4815 3.16351 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.975 15.4815 3.16351 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2247 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.935 15.4815 3.16351 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.8 15.4815 3.16351 0.31955
protocols.relax.FastRelax: {0} CMD: min -227.739 15.5633 3.04291 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.739 15.5633 3.04291 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.725 15.5633 3.04291 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2273 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.935 15.5633 3.04291 0.55
protocols.relax.FastRelax: {0} CMD: min -204.757 15.3995 3.07809 0.55
protocols.relax.FastRelax: {0} MRP: 1 -204.757 -204.757 15.3995 3.07809
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.757 15.3995 3.07809 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.757 15.3995 3.07809 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.757 15.3995 3.07809 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.811 15.3995 3.07809 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2408 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -276.058 15.3995 3.07809 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.157 15.3995 3.07809 0.02805
protocols.relax.FastRelax: {0} CMD: min -300.024 15.0201 3.21679 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -300.024 15.0201 3.21679 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.526 15.0201 3.21679 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2575 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -208.374 15.0201 3.21679 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.518 15.0201 3.21679 0.154
protocols.relax.FastRelax: {0} CMD: min -251.981 15.2818 3.29512 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.981 15.2818 3.29512 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.965 15.2818 3.29512 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2432 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.615 15.2818 3.29512 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.747 15.2818 3.29512 0.31955
protocols.relax.FastRelax: {0} CMD: min -214.896 15.3647 3.1191 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.896 15.3647 3.1191 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.138 15.3647 3.1191 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2393 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -166.197 15.3647 3.1191 0.55
protocols.relax.FastRelax: {0} CMD: min -203.104 15.7153 3.03921 0.55
protocols.relax.FastRelax: {0} MRP: 2 -203.104 -204.757 15.3995 3.07809
protocols.relax.FastRelax: {0} CMD: accept_to_best -203.104 15.7153 3.03921 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -203.104 15.7153 3.03921 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.104 15.7153 3.03921 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.729 15.7153 3.03921 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2639 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -277.349 15.7153 3.03921 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.096 15.7153 3.03921 0.02805
protocols.relax.FastRelax: {0} CMD: min -279.435 15.6185 3.18182 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.435 15.6185 3.18182 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.063 15.6185 3.18182 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2499 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.23 15.6185 3.18182 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.784 15.6185 3.18182 0.154
protocols.relax.FastRelax: {0} CMD: min -249.623 15.6181 3.07301 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.623 15.6181 3.07301 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.501 15.6181 3.07301 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2429 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.954 15.6181 3.07301 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.023 15.6181 3.07301 0.31955
protocols.relax.FastRelax: {0} CMD: min -225.677 15.7144 3.09197 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.677 15.7144 3.09197 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.071 15.7144 3.09197 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2389 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.075 15.7144 3.09197 0.55
protocols.relax.FastRelax: {0} CMD: min -204.973 15.778 3.0717 0.55
protocols.relax.FastRelax: {0} MRP: 3 -204.973 -204.973 15.778 3.0717
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.973 15.778 3.0717 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.973 15.778 3.0717 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.973 15.778 3.0717 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.182 15.778 3.0717 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2583 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -276.077 15.778 3.0717 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.402 15.778 3.0717 0.02805
protocols.relax.FastRelax: {0} CMD: min -302.81 15.777 3.15793 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.81 15.777 3.15793 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.323 15.777 3.15793 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2688 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -200.78 15.777 3.15793 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.396 15.777 3.15793 0.154
protocols.relax.FastRelax: {0} CMD: min -256.969 16.2119 3.59192 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.969 16.2119 3.59192 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.008 16.2119 3.59192 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2400 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.351 16.2119 3.59192 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.671 16.2119 3.59192 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.334 16.2442 3.70698 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.334 16.2442 3.70698 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.015 16.2442 3.70698 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2373 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -193.371 16.2442 3.70698 0.55
protocols.relax.FastRelax: {0} CMD: min -212.465 16.2693 4.24655 0.55
protocols.relax.FastRelax: {0} MRP: 4 -212.465 -212.465 16.2693 4.24655
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.465 16.2693 4.24655 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.465 16.2693 4.24655 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_33.pdb
protocols.relax.FastRelax: {0} CMD: repeat 75487.8 12.7277 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75487.8 12.7277 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7753.04 12.7277 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2135 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 125.171 12.7277 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 140.579 12.7277 0 0.02805
protocols.relax.FastRelax: {0} CMD: min 347.45 13.8134 9.44927 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 347.45 13.8134 9.44927 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 2961.02 13.8134 9.44927 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2740 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 2007.97 13.8134 9.44927 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 2134.31 13.8134 9.44927 0.154
protocols.relax.FastRelax: {0} CMD: min -196.199 10.9982 7.45725 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.199 10.9982 7.45725 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -143.114 10.9982 7.45725 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2256 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -157.943 10.9982 7.45725 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.918 10.9982 7.45725 0.31955
protocols.relax.FastRelax: {0} CMD: min -175.073 11.1507 7.92721 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -175.073 11.1507 7.92721 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -123.788 11.1507 7.92721 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2190 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -124.197 11.1507 7.92721 0.55
protocols.relax.FastRelax: {0} CMD: min -179.339 11.8498 8.08681 0.55
protocols.relax.FastRelax: {0} MRP: 0 -179.339 -179.339 11.8498 8.08681
protocols.relax.FastRelax: {0} CMD: accept_to_best -179.339 11.8498 8.08681 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -179.339 11.8498 8.08681 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -179.339 11.8498 8.08681 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.979 11.8498 8.08681 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2217 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.095 11.8498 8.08681 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.265 11.8498 8.08681 0.02805
protocols.relax.FastRelax: {0} CMD: min -298.839 11.8801 8.16583 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -298.839 11.8801 8.16583 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.276 11.8801 8.16583 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2339 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -201.704 11.8801 8.16583 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.479 11.8801 8.16583 0.154
protocols.relax.FastRelax: {0} CMD: min -243.308 11.9494 8.19213 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.308 11.9494 8.19213 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.75 11.9494 8.19213 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2225 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.654 11.9494 8.19213 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.341 11.9494 8.19213 0.31955
protocols.relax.FastRelax: {0} CMD: min -209.435 11.8626 8.15765 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.435 11.8626 8.15765 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.439 11.8626 8.15765 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2012 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -168.529 11.8626 8.15765 0.55
protocols.relax.FastRelax: {0} CMD: min -189.549 11.8158 8.07279 0.55
protocols.relax.FastRelax: {0} MRP: 1 -189.549 -189.549 11.8158 8.07279
protocols.relax.FastRelax: {0} CMD: accept_to_best -189.549 11.8158 8.07279 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -189.549 11.8158 8.07279 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189.549 11.8158 8.07279 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.37 11.8158 8.07279 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2229 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -261.357 11.8158 8.07279 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.828 11.8158 8.07279 0.02805
protocols.relax.FastRelax: {0} CMD: min -296.762 11.8523 8.23335 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.762 11.8523 8.23335 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.164 11.8523 8.23335 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2309 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.322 11.8523 8.23335 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.929 11.8523 8.23335 0.154
protocols.relax.FastRelax: {0} CMD: min -252.092 11.8004 8.1238 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.092 11.8004 8.1238 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.898 11.8004 8.1238 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2130 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.728 11.8004 8.1238 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.698 11.8004 8.1238 0.31955
protocols.relax.FastRelax: {0} CMD: min -218.781 11.7042 8.11238 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.781 11.7042 8.11238 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.458 11.7042 8.11238 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2085 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -176.424 11.7042 8.11238 0.55
protocols.relax.FastRelax: {0} CMD: min -194.366 11.7088 8.07493 0.55
protocols.relax.FastRelax: {0} MRP: 2 -194.366 -194.366 11.7088 8.07493
protocols.relax.FastRelax: {0} CMD: accept_to_best -194.366 11.7088 8.07493 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -194.366 11.7088 8.07493 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.366 11.7088 8.07493 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.723 11.7088 8.07493 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2213 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -266.941 11.7088 8.07493 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.289 11.7088 8.07493 0.02805
protocols.relax.FastRelax: {0} CMD: min -307.809 11.6683 8.14756 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.809 11.6683 8.14756 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.598 11.6683 8.14756 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2355 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.068 11.6683 8.14756 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.114 11.6683 8.14756 0.154
protocols.relax.FastRelax: {0} CMD: min -248.262 11.7443 8.12428 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.262 11.7443 8.12428 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.27 11.7443 8.12428 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2137 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -208.048 11.7443 8.12428 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.869 11.7443 8.12428 0.31955
protocols.relax.FastRelax: {0} CMD: min -216.069 11.7232 8.11088 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.069 11.7232 8.11088 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.498 11.7232 8.11088 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2109 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -174.486 11.7232 8.11088 0.55
protocols.relax.FastRelax: {0} CMD: min -196.455 10.812 8.08101 0.55
protocols.relax.FastRelax: {0} MRP: 3 -196.455 -196.455 10.812 8.08101
protocols.relax.FastRelax: {0} CMD: accept_to_best -196.455 10.812 8.08101 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -196.455 10.812 8.08101 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.455 10.812 8.08101 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.196 10.812 8.08101 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2209 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -273.455 10.812 8.08101 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.45 10.812 8.08101 0.02805
protocols.relax.FastRelax: {0} CMD: min -316.511 10.9469 8.24794 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -316.511 10.9469 8.24794 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.729 10.9469 8.24794 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2381 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.491 10.9469 8.24794 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.384 10.9469 8.24794 0.154
protocols.relax.FastRelax: {0} CMD: min -242.714 10.9069 8.20839 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.714 10.9069 8.20839 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.856 10.9069 8.20839 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2224 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -201.78 10.9069 8.20839 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.515 10.9069 8.20839 0.31955
protocols.relax.FastRelax: {0} CMD: min -210.558 10.9969 8.25927 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.558 10.9969 8.25927 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.222 10.9969 8.25927 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2164 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -166.27 10.9969 8.25927 0.55
protocols.relax.FastRelax: {0} CMD: min -193.703 10.6566 8.57974 0.55
protocols.relax.FastRelax: {0} MRP: 4 -193.703 -196.455 10.812 8.08101
protocols.relax.FastRelax: {0} CMD: accept_to_best -193.703 10.6566 8.57974 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -193.703 10.6566 8.57974 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_30.pdb
protocols.relax.FastRelax: {0} CMD: repeat 72615.7 12.9121 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72615.7 12.9121 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7056.38 12.9121 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3540 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -155.588 12.9121 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -133.719 12.9121 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -290.716 12.4553 2.80568 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.716 12.4553 2.80568 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.337 12.4553 2.80568 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3182 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -186.505 12.4553 2.80568 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.395 12.4553 2.80568 0.154
protocols.relax.FastRelax: {0} CMD: min -238.247 12.5812 2.38521 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.247 12.5812 2.38521 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.345 12.5812 2.38521 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2930 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -195.46 12.5812 2.38521 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.918 12.5812 2.38521 0.31955
protocols.relax.FastRelax: {0} CMD: min -202.331 12.6565 2.13594 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.331 12.6565 2.13594 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.634 12.6565 2.13594 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2728 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -149.723 12.6565 2.13594 0.55
protocols.relax.FastRelax: {0} CMD: min -220.672 12.4885 3.62297 0.55
protocols.relax.FastRelax: {0} MRP: 0 -220.672 -220.672 12.4885 3.62297
protocols.relax.FastRelax: {0} CMD: accept_to_best -220.672 12.4885 3.62297 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -220.672 12.4885 3.62297 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.672 12.4885 3.62297 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.647 12.4885 3.62297 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3175 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -301.352 12.4885 3.62297 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.386 12.4885 3.62297 0.02805
protocols.relax.FastRelax: {0} CMD: min -348.898 12.3825 3.92347 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -348.898 12.3825 3.92347 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.452 12.3825 3.92347 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3539 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.656 12.3825 3.92347 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.229 12.3825 3.92347 0.154
protocols.relax.FastRelax: {0} CMD: min -291.029 12.4467 3.73193 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.029 12.4467 3.73193 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.563 12.4467 3.73193 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3114 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -249.94 12.4467 3.73193 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.683 12.4467 3.73193 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.748 12.4646 3.66924 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.748 12.4646 3.66924 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.436 12.4646 3.66924 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2840 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.744 12.4646 3.66924 0.55
protocols.relax.FastRelax: {0} CMD: min -246.422 12.6235 3.56412 0.55
protocols.relax.FastRelax: {0} MRP: 1 -246.422 -246.422 12.6235 3.56412
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.422 12.6235 3.56412 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.422 12.6235 3.56412 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.422 12.6235 3.56412 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.279 12.6235 3.56412 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3508 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -321.718 12.6235 3.56412 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -319.239 12.6235 3.56412 0.02805
protocols.relax.FastRelax: {0} CMD: min -362.815 12.4414 4.10394 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -362.815 12.4414 4.10394 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.551 12.4414 4.10394 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3805 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -270.986 12.4414 4.10394 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.73 12.4414 4.10394 0.154
protocols.relax.FastRelax: {0} CMD: min -302.911 12.5871 3.74725 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.911 12.5871 3.74725 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.395 12.5871 3.74725 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3279 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.34 12.5871 3.74725 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.958 12.5871 3.74725 0.31955
protocols.relax.FastRelax: {0} CMD: min -271.966 12.5864 3.64186 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.966 12.5864 3.64186 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.695 12.5864 3.64186 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3078 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.932 12.5864 3.64186 0.55
protocols.relax.FastRelax: {0} CMD: min -251.079 12.6249 3.61588 0.55
protocols.relax.FastRelax: {0} MRP: 2 -251.079 -251.079 12.6249 3.61588
protocols.relax.FastRelax: {0} CMD: accept_to_best -251.079 12.6249 3.61588 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -251.079 12.6249 3.61588 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.079 12.6249 3.61588 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -310.693 12.6249 3.61588 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3333 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -324.839 12.6249 3.61588 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -322.561 12.6249 3.61588 0.02805
protocols.relax.FastRelax: {0} CMD: min -357.545 12.5091 4.2618 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -357.545 12.5091 4.2618 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.961 12.5091 4.2618 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3490 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -256.415 12.5091 4.2618 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.615 12.5091 4.2618 0.154
protocols.relax.FastRelax: {0} CMD: min -300.671 12.5723 3.68204 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -300.671 12.5723 3.68204 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.139 12.5723 3.68204 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3230 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.565 12.5723 3.68204 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.393 12.5723 3.68204 0.31955
protocols.relax.FastRelax: {0} CMD: min -273.03 12.5993 3.61302 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.03 12.5993 3.61302 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.449 12.5993 3.61302 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2858 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.643 12.5993 3.61302 0.55
protocols.relax.FastRelax: {0} CMD: min -255.668 12.6259 3.79384 0.55
protocols.relax.FastRelax: {0} MRP: 3 -255.668 -255.668 12.6259 3.79384
protocols.relax.FastRelax: {0} CMD: accept_to_best -255.668 12.6259 3.79384 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -255.668 12.6259 3.79384 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.668 12.6259 3.79384 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -315.884 12.6259 3.79384 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3584 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -322.708 12.6259 3.79384 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -319.098 12.6259 3.79384 0.02805
protocols.relax.FastRelax: {0} CMD: min -362.651 12.5853 4.41052 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -362.651 12.5853 4.41052 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.517 12.5853 4.41052 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3765 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -275.003 12.5853 4.41052 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.775 12.5853 4.41052 0.154
protocols.relax.FastRelax: {0} CMD: min -306.551 12.6006 4.33008 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -306.551 12.6006 4.33008 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.244 12.6006 4.33008 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3425 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -265.573 12.6006 4.33008 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.303 12.6006 4.33008 0.31955
protocols.relax.FastRelax: {0} CMD: min -275.696 12.578 4.08028 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.696 12.578 4.08028 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.91 12.578 4.08028 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3081 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.08 12.578 4.08028 0.55
protocols.relax.FastRelax: {0} CMD: min -255.883 12.6334 3.94598 0.55
protocols.relax.FastRelax: {0} MRP: 4 -255.883 -255.883 12.6334 3.94598
protocols.relax.FastRelax: {0} CMD: accept_to_best -255.883 12.6334 3.94598 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -255.883 12.6334 3.94598 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_40.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71903.9 14.8492 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71903.9 14.8492 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7073.63 14.8492 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2746 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -84.1562 14.8492 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -55.0317 14.8492 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -250.442 14.6216 3.83477 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.442 14.6216 3.83477 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -85.9905 14.6216 3.83477 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2863 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -130.762 14.6216 3.83477 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -122.848 14.6216 3.83477 0.154
protocols.relax.FastRelax: {0} CMD: min -238.477 14.7296 5.43467 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.477 14.7296 5.43467 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.087 14.7296 5.43467 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2842 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -197.258 14.7296 5.43467 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.944 14.7296 5.43467 0.31955
protocols.relax.FastRelax: {0} CMD: min -212.844 14.7258 5.50318 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.844 14.7258 5.50318 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.588 14.7258 5.50318 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2543 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -174.12 14.7258 5.50318 0.55
protocols.relax.FastRelax: {0} CMD: min -215.221 14.7104 5.4128 0.55
protocols.relax.FastRelax: {0} MRP: 0 -215.221 -215.221 14.7104 5.4128
protocols.relax.FastRelax: {0} CMD: accept_to_best -215.221 14.7104 5.4128 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -215.221 14.7104 5.4128 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.221 14.7104 5.4128 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.321 14.7104 5.4128 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2789 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -284.549 14.7104 5.4128 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.003 14.7104 5.4128 0.02805
protocols.relax.FastRelax: {0} CMD: min -331.091 14.5623 5.68235 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -331.091 14.5623 5.68235 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.364 14.5623 5.68235 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3055 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.141 14.5623 5.68235 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.091 14.5623 5.68235 0.154
protocols.relax.FastRelax: {0} CMD: min -275.129 14.671 5.42351 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.129 14.671 5.42351 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.726 14.671 5.42351 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2825 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.922 14.671 5.42351 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.784 14.671 5.42351 0.31955
protocols.relax.FastRelax: {0} CMD: min -243.056 14.6653 5.3129 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.056 14.6653 5.3129 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.247 14.6653 5.3129 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2614 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.249 14.6653 5.3129 0.55
protocols.relax.FastRelax: {0} CMD: min -226.033 14.7113 5.3303 0.55
protocols.relax.FastRelax: {0} MRP: 1 -226.033 -226.033 14.7113 5.3303
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.033 14.7113 5.3303 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.033 14.7113 5.3303 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.033 14.7113 5.3303 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.73 14.7113 5.3303 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2881 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -295.234 14.7113 5.3303 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.318 14.7113 5.3303 0.02805
protocols.relax.FastRelax: {0} CMD: min -347.411 14.8068 5.46957 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -347.411 14.8068 5.46957 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.744 14.8068 5.46957 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3044 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -229.552 14.8068 5.46957 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.62 14.8068 5.46957 0.154
protocols.relax.FastRelax: {0} CMD: min -278.899 14.7892 5.39659 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.899 14.7892 5.39659 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.988 14.7892 5.39659 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2885 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.755 14.7892 5.39659 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.335 14.7892 5.39659 0.31955
protocols.relax.FastRelax: {0} CMD: min -246.689 14.775 5.34713 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.689 14.775 5.34713 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.645 14.775 5.34713 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2593 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.015 14.775 5.34713 0.55
protocols.relax.FastRelax: {0} CMD: min -227.123 14.7633 5.30809 0.55
protocols.relax.FastRelax: {0} MRP: 2 -227.123 -227.123 14.7633 5.30809
protocols.relax.FastRelax: {0} CMD: accept_to_best -227.123 14.7633 5.30809 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -227.123 14.7633 5.30809 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.123 14.7633 5.30809 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.378 14.7633 5.30809 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2852 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -299.731 14.7633 5.30809 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.127 14.7633 5.30809 0.02805
protocols.relax.FastRelax: {0} CMD: min -353.781 14.8359 5.43792 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -353.781 14.8359 5.43792 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.97 14.8359 5.43792 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3063 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.972 14.8359 5.43792 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.899 14.8359 5.43792 0.154
protocols.relax.FastRelax: {0} CMD: min -290.672 14.8223 5.34224 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.672 14.8223 5.34224 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.726 14.8223 5.34224 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2771 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -248.235 14.8223 5.34224 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.846 14.8223 5.34224 0.31955
protocols.relax.FastRelax: {0} CMD: min -257.211 14.7716 5.33594 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.211 14.7716 5.33594 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.288 14.7716 5.33594 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2506 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.309 14.7716 5.33594 0.55
protocols.relax.FastRelax: {0} CMD: min -229.526 14.7561 5.24976 0.55
protocols.relax.FastRelax: {0} MRP: 3 -229.526 -229.526 14.7561 5.24976
protocols.relax.FastRelax: {0} CMD: accept_to_best -229.526 14.7561 5.24976 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -229.526 14.7561 5.24976 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.526 14.7561 5.24976 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.733 14.7561 5.24976 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2844 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -301.576 14.7561 5.24976 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.997 14.7561 5.24976 0.02805
protocols.relax.FastRelax: {0} CMD: min -354.544 14.8567 5.47074 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -354.544 14.8567 5.47074 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.397 14.8567 5.47074 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3150 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.25 14.8567 5.47074 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.72 14.8567 5.47074 0.154
protocols.relax.FastRelax: {0} CMD: min -289.635 14.8335 5.38647 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.635 14.8335 5.38647 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.502 14.8335 5.38647 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2906 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.475 14.8335 5.38647 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.747 14.8335 5.38647 0.31955
protocols.relax.FastRelax: {0} CMD: min -257.485 14.8052 5.32501 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.485 14.8052 5.32501 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.404 14.8052 5.32501 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2578 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.536 14.8052 5.32501 0.55
protocols.relax.FastRelax: {0} CMD: min -233.236 14.7575 5.25943 0.55
protocols.relax.FastRelax: {0} MRP: 4 -233.236 -233.236 14.7575 5.25943
protocols.relax.FastRelax: {0} CMD: accept_to_best -233.236 14.7575 5.25943 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -233.236 14.7575 5.25943 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_6.pdb
protocols.relax.FastRelax: {0} CMD: repeat 68008.4 15.7832 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68008.4 15.7832 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6453.43 15.7832 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2861 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 3.30326 15.7832 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 65.1045 15.7832 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -234.153 16.6524 4.59712 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.153 16.6524 4.59712 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -83.2312 16.6524 4.59712 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2505 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -130.359 16.6524 4.59712 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -123.772 16.6524 4.59712 0.154
protocols.relax.FastRelax: {0} CMD: min -204.721 16.6383 3.79295 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.721 16.6383 3.79295 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.673 16.6383 3.79295 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2607 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -165.812 16.6383 3.79295 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.607 16.6383 3.79295 0.31955
protocols.relax.FastRelax: {0} CMD: min -172.388 17.0295 3.99202 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -172.388 17.0295 3.99202 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -129.252 17.0295 3.99202 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2559 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -133.633 17.0295 3.99202 0.55
protocols.relax.FastRelax: {0} CMD: min -179.794 17.1712 4.16619 0.55
protocols.relax.FastRelax: {0} MRP: 0 -179.794 -179.794 17.1712 4.16619
protocols.relax.FastRelax: {0} CMD: accept_to_best -179.794 17.1712 4.16619 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -179.794 17.1712 4.16619 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -179.794 17.1712 4.16619 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.129 17.1712 4.16619 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2893 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.958 17.1712 4.16619 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.306 17.1712 4.16619 0.02805
protocols.relax.FastRelax: {0} CMD: min -312.685 17.2959 4.43264 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.685 17.2959 4.43264 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.782 17.2959 4.43264 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2969 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.694 17.2959 4.43264 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.714 17.2959 4.43264 0.154
protocols.relax.FastRelax: {0} CMD: min -248.913 17.2786 4.33612 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.913 17.2786 4.33612 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.43 17.2786 4.33612 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2856 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.698 17.2786 4.33612 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.066 17.2786 4.33612 0.31955
protocols.relax.FastRelax: {0} CMD: min -213.177 17.2978 4.40494 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.177 17.2978 4.40494 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.929 17.2978 4.40494 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2716 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -170.297 17.2978 4.40494 0.55
protocols.relax.FastRelax: {0} CMD: min -195.25 17.4209 4.61412 0.55
protocols.relax.FastRelax: {0} MRP: 1 -195.25 -195.25 17.4209 4.61412
protocols.relax.FastRelax: {0} CMD: accept_to_best -195.25 17.4209 4.61412 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -195.25 17.4209 4.61412 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.25 17.4209 4.61412 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.101 17.4209 4.61412 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2905 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -266.842 17.4209 4.61412 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.995 17.4209 4.61412 0.02805
protocols.relax.FastRelax: {0} CMD: min -322.184 17.4386 4.60667 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -322.184 17.4386 4.60667 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.849 17.4386 4.60667 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2963 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -208.916 17.4386 4.60667 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.819 17.4386 4.60667 0.154
protocols.relax.FastRelax: {0} CMD: min -254.979 17.5052 4.63566 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.979 17.5052 4.63566 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.188 17.5052 4.63566 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2890 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.272 17.5052 4.63566 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.486 17.5052 4.63566 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.756 17.538 4.73395 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.756 17.538 4.73395 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.639 17.538 4.73395 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2781 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.04 17.538 4.73395 0.55
protocols.relax.FastRelax: {0} CMD: min -199.866 17.5094 4.9055 0.55
protocols.relax.FastRelax: {0} MRP: 2 -199.866 -199.866 17.5094 4.9055
protocols.relax.FastRelax: {0} CMD: accept_to_best -199.866 17.5094 4.9055 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -199.866 17.5094 4.9055 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.866 17.5094 4.9055 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.472 17.5094 4.9055 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3156 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -270.493 17.5094 4.9055 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.795 17.5094 4.9055 0.02805
protocols.relax.FastRelax: {0} CMD: min -333.171 17.5328 5.03258 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -333.171 17.5328 5.03258 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.181 17.5328 5.03258 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3075 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.802 17.5328 5.03258 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.082 17.5328 5.03258 0.154
protocols.relax.FastRelax: {0} CMD: min -269.589 17.6505 5.12332 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -269.589 17.6505 5.12332 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.766 17.6505 5.12332 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2846 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.129 17.6505 5.12332 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.419 17.6505 5.12332 0.31955
protocols.relax.FastRelax: {0} CMD: min -232.745 17.6776 5.17943 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.745 17.6776 5.17943 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.316 17.6776 5.17943 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2823 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -186.528 17.6776 5.17943 0.55
protocols.relax.FastRelax: {0} CMD: min -208.761 17.7023 5.40449 0.55
protocols.relax.FastRelax: {0} MRP: 3 -208.761 -208.761 17.7023 5.40449
protocols.relax.FastRelax: {0} CMD: accept_to_best -208.761 17.7023 5.40449 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -208.761 17.7023 5.40449 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.761 17.7023 5.40449 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.593 17.7023 5.40449 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3137 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -282.386 17.7023 5.40449 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.568 17.7023 5.40449 0.02805
protocols.relax.FastRelax: {0} CMD: min -343.18 17.6638 5.36917 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -343.18 17.6638 5.36917 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.76 17.6638 5.36917 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3057 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.218 17.6638 5.36917 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.502 17.6638 5.36917 0.154
protocols.relax.FastRelax: {0} CMD: min -273.833 17.7033 5.39718 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.833 17.7033 5.39718 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.53 17.7033 5.39718 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3006 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.762 17.7033 5.39718 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.856 17.7033 5.39718 0.31955
protocols.relax.FastRelax: {0} CMD: min -235.686 17.7301 5.42525 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.686 17.7301 5.42525 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.64 17.7301 5.42525 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2859 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.437 17.7301 5.42525 0.55
protocols.relax.FastRelax: {0} CMD: min -210.982 17.7111 5.52371 0.55
protocols.relax.FastRelax: {0} MRP: 4 -210.982 -210.982 17.7111 5.52371
protocols.relax.FastRelax: {0} CMD: accept_to_best -210.982 17.7111 5.52371 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -210.982 17.7111 5.52371 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_26.pdb
protocols.relax.FastRelax: {0} CMD: repeat 79539.6 13.614 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 79539.6 13.614 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7481.47 13.614 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2664 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -32.3169 13.614 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 22.2352 13.614 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -232.538 13.3012 2.33148 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.538 13.3012 2.33148 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -9.2245 13.3012 2.33148 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2690 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -81.459 13.3012 2.33148 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -70.9821 13.3012 2.33148 0.154
protocols.relax.FastRelax: {0} CMD: min -205.894 13.1956 3.07785 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.894 13.1956 3.07785 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.529 13.1956 3.07785 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2579 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -157.627 13.1956 3.07785 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.838 13.1956 3.07785 0.31955
protocols.relax.FastRelax: {0} CMD: min -176.777 12.9834 4.18465 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.777 12.9834 4.18465 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -129.02 12.9834 4.18465 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2453 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -133.808 12.9834 4.18465 0.55
protocols.relax.FastRelax: {0} CMD: min -196.287 12.7808 4.1374 0.55
protocols.relax.FastRelax: {0} MRP: 0 -196.287 -196.287 12.7808 4.1374
protocols.relax.FastRelax: {0} CMD: accept_to_best -196.287 12.7808 4.1374 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -196.287 12.7808 4.1374 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.287 12.7808 4.1374 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.433 12.7808 4.1374 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2882 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -288.048 12.7808 4.1374 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.5 12.7808 4.1374 0.02805
protocols.relax.FastRelax: {0} CMD: min -323.328 12.5031 4.30494 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -323.328 12.5031 4.30494 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.718 12.5031 4.30494 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2693 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.275 12.5031 4.30494 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.258 12.5031 4.30494 0.154
protocols.relax.FastRelax: {0} CMD: min -260.454 12.5595 4.54602 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.454 12.5595 4.54602 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.298 12.5595 4.54602 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2487 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.494 12.5595 4.54602 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.037 12.5595 4.54602 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.862 12.5905 4.90225 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.862 12.5905 4.90225 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.811 12.5905 4.90225 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2440 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -184.782 12.5905 4.90225 0.55
protocols.relax.FastRelax: {0} CMD: min -217.151 12.3186 6.20765 0.55
protocols.relax.FastRelax: {0} MRP: 1 -217.151 -217.151 12.3186 6.20765
protocols.relax.FastRelax: {0} CMD: accept_to_best -217.151 12.3186 6.20765 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -217.151 12.3186 6.20765 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.151 12.3186 6.20765 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.514 12.3186 6.20765 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2922 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -302.209 12.3186 6.20765 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.578 12.3186 6.20765 0.02805
protocols.relax.FastRelax: {0} CMD: min -317.634 12.1707 6.092 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.634 12.1707 6.092 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.143 12.1707 6.092 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2777 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.55 12.1707 6.092 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.039 12.1707 6.092 0.154
protocols.relax.FastRelax: {0} CMD: min -279.049 12.1888 6.0173 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.049 12.1888 6.0173 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.47 12.1888 6.0173 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2691 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.286 12.1888 6.0173 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.126 12.1888 6.0173 0.31955
protocols.relax.FastRelax: {0} CMD: min -246.787 12.2498 6.11624 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.787 12.2498 6.11624 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.201 12.2498 6.11624 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2677 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.333 12.2498 6.11624 0.55
protocols.relax.FastRelax: {0} CMD: min -225.093 12.2809 6.46855 0.55
protocols.relax.FastRelax: {0} MRP: 2 -225.093 -225.093 12.2809 6.46855
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.093 12.2809 6.46855 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.093 12.2809 6.46855 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.093 12.2809 6.46855 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.308 12.2809 6.46855 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3028 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -305.254 12.2809 6.46855 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.746 12.2809 6.46855 0.02805
protocols.relax.FastRelax: {0} CMD: min -342.53 12.0252 6.14736 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -342.53 12.0252 6.14736 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.932 12.0252 6.14736 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3018 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.766 12.0252 6.14736 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.696 12.0252 6.14736 0.154
protocols.relax.FastRelax: {0} CMD: min -284.343 12.168 6.21994 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.343 12.168 6.21994 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.125 12.168 6.21994 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2772 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -242.23 12.168 6.21994 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.807 12.168 6.21994 0.31955
protocols.relax.FastRelax: {0} CMD: min -253.639 12.2373 6.52332 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.639 12.2373 6.52332 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.908 12.2373 6.52332 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2651 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.139 12.2373 6.52332 0.55
protocols.relax.FastRelax: {0} CMD: min -226.916 12.2266 6.7532 0.55
protocols.relax.FastRelax: {0} MRP: 3 -226.916 -226.916 12.2266 6.7532
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.916 12.2266 6.7532 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.916 12.2266 6.7532 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.916 12.2266 6.7532 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.709 12.2266 6.7532 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3014 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -306.871 12.2266 6.7532 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.552 12.2266 6.7532 0.02805
protocols.relax.FastRelax: {0} CMD: min -340.263 11.9611 6.12538 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -340.263 11.9611 6.12538 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.774 11.9611 6.12538 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2934 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -257.973 11.9611 6.12538 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.794 11.9611 6.12538 0.154
protocols.relax.FastRelax: {0} CMD: min -286.572 12.0482 6.4003 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -286.572 12.0482 6.4003 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.448 12.0482 6.4003 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2798 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -245.721 12.0482 6.4003 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.519 12.0482 6.4003 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.359 12.14 6.44681 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.359 12.14 6.44681 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.832 12.14 6.44681 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2735 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -208.008 12.14 6.44681 0.55
protocols.relax.FastRelax: {0} CMD: min -226.735 12.2127 6.72598 0.55
protocols.relax.FastRelax: {0} MRP: 4 -226.735 -226.916 12.2266 6.7532
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.735 12.2127 6.72598 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.735 12.2127 6.72598 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_49.pdb
protocols.relax.FastRelax: {0} CMD: repeat 61221.8 15.5307 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 61221.8 15.5307 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7136.81 15.5307 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2188 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 130.739 15.5307 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 150.768 15.5307 0 0.02805
protocols.relax.FastRelax: {0} CMD: min 1719.81 16.5262 9.06134 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 1719.81 16.5262 9.06134 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 10971.5 16.5262 9.06134 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2981 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 7157.84 16.5262 9.06134 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7586.66 16.5262 9.06134 0.154
protocols.relax.FastRelax: {0} CMD: min -153.87 15.8684 14.3549 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -153.87 15.8684 14.3549 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -116.556 15.8684 14.3549 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2098 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -151.74 15.8684 14.3549 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -149.431 15.8684 14.3549 0.31955
protocols.relax.FastRelax: {0} CMD: min -184.998 14.7998 10.5641 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -184.998 14.7998 10.5641 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.104 14.7998 10.5641 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2040 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -155.366 14.7998 10.5641 0.55
protocols.relax.FastRelax: {0} CMD: min -198.806 14.567 9.10449 0.55
protocols.relax.FastRelax: {0} MRP: 0 -198.806 -198.806 14.567 9.10449
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.806 14.567 9.10449 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.806 14.567 9.10449 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.806 14.567 9.10449 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.603 14.567 9.10449 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2250 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.612 14.567 9.10449 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.928 14.567 9.10449 0.02805
protocols.relax.FastRelax: {0} CMD: min -297.481 14.6303 8.54667 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.481 14.6303 8.54667 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.436 14.6303 8.54667 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2220 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.501 14.6303 8.54667 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.849 14.6303 8.54667 0.154
protocols.relax.FastRelax: {0} CMD: min -254.306 14.6383 8.33007 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.306 14.6383 8.33007 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.779 14.6383 8.33007 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2167 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.006 14.6383 8.33007 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.545 14.6383 8.33007 0.31955
protocols.relax.FastRelax: {0} CMD: min -225.698 14.6182 8.33742 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.698 14.6182 8.33742 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.134 14.6182 8.33742 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2121 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -184.629 14.6182 8.33742 0.55
protocols.relax.FastRelax: {0} CMD: min -223.903 14.5604 8.32978 0.55
protocols.relax.FastRelax: {0} MRP: 1 -223.903 -223.903 14.5604 8.32978
protocols.relax.FastRelax: {0} CMD: accept_to_best -223.903 14.5604 8.32978 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -223.903 14.5604 8.32978 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.903 14.5604 8.32978 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.699 14.5604 8.32978 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2361 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -291.687 14.5604 8.32978 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.944 14.5604 8.32978 0.02805
protocols.relax.FastRelax: {0} CMD: min -323.076 14.7319 8.24242 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -323.076 14.7319 8.24242 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.773 14.7319 8.24242 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2425 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -247.439 14.7319 8.24242 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.372 14.7319 8.24242 0.154
protocols.relax.FastRelax: {0} CMD: min -275.883 14.7515 8.17262 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.883 14.7515 8.17262 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.324 14.7515 8.17262 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2367 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.291 14.7515 8.17262 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.708 14.7515 8.17262 0.31955
protocols.relax.FastRelax: {0} CMD: min -246.771 14.7434 8.16527 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.771 14.7434 8.16527 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.215 14.7434 8.16527 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2289 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -210.249 14.7434 8.16527 0.55
protocols.relax.FastRelax: {0} CMD: min -229.689 14.7794 7.77432 0.55
protocols.relax.FastRelax: {0} MRP: 2 -229.689 -229.689 14.7794 7.77432
protocols.relax.FastRelax: {0} CMD: accept_to_best -229.689 14.7794 7.77432 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -229.689 14.7794 7.77432 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.689 14.7794 7.77432 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.543 14.7794 7.77432 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2478 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -299.68 14.7794 7.77432 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.278 14.7794 7.77432 0.02805
protocols.relax.FastRelax: {0} CMD: min -335.125 15.0513 7.6723 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -335.125 15.0513 7.6723 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.293 15.0513 7.6723 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2435 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -263.478 15.0513 7.6723 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.377 15.0513 7.6723 0.154
protocols.relax.FastRelax: {0} CMD: min -292.15 15.0371 7.42321 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.15 15.0371 7.42321 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.354 15.0371 7.42321 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2263 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -256.849 15.0371 7.42321 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.085 15.0371 7.42321 0.31955
protocols.relax.FastRelax: {0} CMD: min -256.981 15.0262 7.40411 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.981 15.0262 7.40411 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.86 15.0262 7.40411 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2229 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.477 15.0262 7.40411 0.55
protocols.relax.FastRelax: {0} CMD: min -242.289 14.9461 7.14894 0.55
protocols.relax.FastRelax: {0} MRP: 3 -242.289 -242.289 14.9461 7.14894
protocols.relax.FastRelax: {0} CMD: accept_to_best -242.289 14.9461 7.14894 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -242.289 14.9461 7.14894 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.289 14.9461 7.14894 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.838 14.9461 7.14894 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2530 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -315.332 14.9461 7.14894 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -311.055 14.9461 7.14894 0.02805
protocols.relax.FastRelax: {0} CMD: min -353.109 14.9641 7.54853 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -353.109 14.9641 7.54853 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.822 14.9641 7.54853 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2578 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.74 14.9641 7.54853 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.9 14.9641 7.54853 0.154
protocols.relax.FastRelax: {0} CMD: min -301.785 14.9201 7.29351 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.785 14.9201 7.29351 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.576 14.9201 7.29351 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2249 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -262.228 14.9201 7.29351 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.125 14.9201 7.29351 0.31955
protocols.relax.FastRelax: {0} CMD: min -271.329 14.9261 7.21037 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.329 14.9261 7.21037 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.737 14.9261 7.21037 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2243 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.966 14.9261 7.21037 0.55
protocols.relax.FastRelax: {0} CMD: min -246.439 14.8314 7.15191 0.55
protocols.relax.FastRelax: {0} MRP: 4 -246.439 -246.439 14.8314 7.15191
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.439 14.8314 7.15191 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.439 14.8314 7.15191 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_1.pdb
protocols.relax.FastRelax: {0} CMD: repeat 69468.1 16.4476 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69468.1 16.4476 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7376.15 16.4476 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2366 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 75.3502 16.4476 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 89.095 16.4476 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -229.794 16.9424 3.7743 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.794 16.9424 3.7743 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 211.849 16.9424 3.7743 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3295 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -92.5068 16.9424 3.7743 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -80.2434 16.9424 3.7743 0.154
protocols.relax.FastRelax: {0} CMD: min -236.663 16.7285 3.8467 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.663 16.7285 3.8467 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.125 16.7285 3.8467 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2919 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.035 16.7285 3.8467 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.008 16.7285 3.8467 0.31955
protocols.relax.FastRelax: {0} CMD: min -200.425 16.7439 3.74764 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.425 16.7439 3.74764 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.095 16.7439 3.74764 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2795 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -146.782 16.7439 3.74764 0.55
protocols.relax.FastRelax: {0} CMD: min -208.726 16.7213 4.42109 0.55
protocols.relax.FastRelax: {0} MRP: 0 -208.726 -208.726 16.7213 4.42109
protocols.relax.FastRelax: {0} CMD: accept_to_best -208.726 16.7213 4.42109 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -208.726 16.7213 4.42109 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.726 16.7213 4.42109 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.211 16.7213 4.42109 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2783 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -293.865 16.7213 4.42109 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.515 16.7213 4.42109 0.02805
protocols.relax.FastRelax: {0} CMD: min -346.886 16.5977 5.0697 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -346.886 16.5977 5.0697 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.295 16.5977 5.0697 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3400 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -239.539 16.5977 5.0697 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.963 16.5977 5.0697 0.154
protocols.relax.FastRelax: {0} CMD: min -287.178 16.6643 4.85306 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -287.178 16.6643 4.85306 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.725 16.6643 4.85306 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3002 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -244.316 16.6643 4.85306 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.9 16.6643 4.85306 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.688 16.7029 4.6906 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.688 16.7029 4.6906 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.431 16.7029 4.6906 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2872 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.418 16.7029 4.6906 0.55
protocols.relax.FastRelax: {0} CMD: min -228.708 16.8285 4.76746 0.55
protocols.relax.FastRelax: {0} MRP: 1 -228.708 -228.708 16.8285 4.76746
protocols.relax.FastRelax: {0} CMD: accept_to_best -228.708 16.8285 4.76746 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -228.708 16.8285 4.76746 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.708 16.8285 4.76746 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.458 16.8285 4.76746 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3159 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -310.746 16.8285 4.76746 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308.902 16.8285 4.76746 0.02805
protocols.relax.FastRelax: {0} CMD: min -370.698 16.7174 5.64734 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -370.698 16.7174 5.64734 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.956 16.7174 5.64734 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3362 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.958 16.7174 5.64734 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.049 16.7174 5.64734 0.154
protocols.relax.FastRelax: {0} CMD: min -304.974 16.8272 5.29128 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.974 16.8272 5.29128 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.03 16.8272 5.29128 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2974 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.579 16.8272 5.29128 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.062 16.8272 5.29128 0.31955
protocols.relax.FastRelax: {0} CMD: min -265.406 16.8603 5.22249 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -265.406 16.8603 5.22249 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.434 16.8603 5.22249 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2713 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.63 16.8603 5.22249 0.55
protocols.relax.FastRelax: {0} CMD: min -244.113 16.8426 5.20847 0.55
protocols.relax.FastRelax: {0} MRP: 2 -244.113 -244.113 16.8426 5.20847
protocols.relax.FastRelax: {0} CMD: accept_to_best -244.113 16.8426 5.20847 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -244.113 16.8426 5.20847 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.113 16.8426 5.20847 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -314.192 16.8426 5.20847 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2817 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -324.821 16.8426 5.20847 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -322.97 16.8426 5.20847 0.02805
protocols.relax.FastRelax: {0} CMD: min -367.277 16.6824 5.95802 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -367.277 16.6824 5.95802 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.377 16.6824 5.95802 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3280 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -257.88 16.6824 5.95802 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.666 16.6824 5.95802 0.154
protocols.relax.FastRelax: {0} CMD: min -314.992 16.8216 5.77611 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -314.992 16.8216 5.77611 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.209 16.8216 5.77611 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2944 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -269.09 16.8216 5.77611 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.46 16.8216 5.77611 0.31955
protocols.relax.FastRelax: {0} CMD: min -277.561 16.8452 5.59036 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.561 16.8452 5.59036 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.953 16.8452 5.59036 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2655 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -229.993 16.8452 5.59036 0.55
protocols.relax.FastRelax: {0} CMD: min -252.926 16.901 5.54362 0.55
protocols.relax.FastRelax: {0} MRP: 3 -252.926 -252.926 16.901 5.54362
protocols.relax.FastRelax: {0} CMD: accept_to_best -252.926 16.901 5.54362 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -252.926 16.901 5.54362 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.926 16.901 5.54362 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -324.951 16.901 5.54362 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2997 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -335.827 16.901 5.54362 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -333.604 16.901 5.54362 0.02805
protocols.relax.FastRelax: {0} CMD: min -388.975 16.7122 6.35561 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -388.975 16.7122 6.35561 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.195 16.7122 6.35561 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3548 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -272.231 16.7122 6.35561 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.562 16.7122 6.35561 0.154
protocols.relax.FastRelax: {0} CMD: min -322.371 16.8363 5.90503 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -322.371 16.8363 5.90503 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.621 16.8363 5.90503 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3066 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -273.555 16.8363 5.90503 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.642 16.8363 5.90503 0.31955
protocols.relax.FastRelax: {0} CMD: min -284.715 16.892 5.68222 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.715 16.892 5.68222 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.035 16.892 5.68222 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2677 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -237.241 16.892 5.68222 0.55
protocols.relax.FastRelax: {0} CMD: min -258.721 16.9278 5.53322 0.55
protocols.relax.FastRelax: {0} MRP: 4 -258.721 -258.721 16.9278 5.53322
protocols.relax.FastRelax: {0} CMD: accept_to_best -258.721 16.9278 5.53322 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -258.721 16.9278 5.53322 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_46.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70994.7 15.9412 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70994.7 15.9412 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6529.94 15.9412 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2592 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -124.55 15.9412 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -104.03 15.9412 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -272.621 14.6986 3.2945 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.621 14.6986 3.2945 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.728 14.6986 3.2945 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2563 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -172.247 14.6986 3.2945 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.368 14.6986 3.2945 0.154
protocols.relax.FastRelax: {0} CMD: min -202.331 14.4479 3.35829 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.331 14.4479 3.35829 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.662 14.4479 3.35829 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2398 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -164.328 14.4479 3.35829 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.006 14.4479 3.35829 0.31955
protocols.relax.FastRelax: {0} CMD: min -208.042 14.7586 2.73668 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.042 14.7586 2.73668 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.37 14.7586 2.73668 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2364 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -176.469 14.7586 2.73668 0.55
protocols.relax.FastRelax: {0} CMD: min -213.743 14.6695 3.71669 0.55
protocols.relax.FastRelax: {0} MRP: 0 -213.743 -213.743 14.6695 3.71669
protocols.relax.FastRelax: {0} CMD: accept_to_best -213.743 14.6695 3.71669 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -213.743 14.6695 3.71669 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.743 14.6695 3.71669 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.315 14.6695 3.71669 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2730 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -285.044 14.6695 3.71669 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.173 14.6695 3.71669 0.02805
protocols.relax.FastRelax: {0} CMD: min -319.946 14.4872 4.28313 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.946 14.4872 4.28313 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.271 14.4872 4.28313 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2686 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.869 14.4872 4.28313 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.407 14.4872 4.28313 0.154
protocols.relax.FastRelax: {0} CMD: min -270.382 14.5082 4.14137 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.382 14.5082 4.14137 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.337 14.5082 4.14137 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2538 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.704 14.5082 4.14137 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.785 14.5082 4.14137 0.31955
protocols.relax.FastRelax: {0} CMD: min -239.15 14.5758 3.99046 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.15 14.5758 3.99046 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.196 14.5758 3.99046 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2491 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -200.295 14.5758 3.99046 0.55
protocols.relax.FastRelax: {0} CMD: min -225.953 14.6104 3.99001 0.55
protocols.relax.FastRelax: {0} MRP: 1 -225.953 -225.953 14.6104 3.99001
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.953 14.6104 3.99001 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.953 14.6104 3.99001 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.953 14.6104 3.99001 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.357 14.6104 3.99001 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2890 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -299.547 14.6104 3.99001 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.858 14.6104 3.99001 0.02805
protocols.relax.FastRelax: {0} CMD: min -346.892 14.2036 4.68837 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -346.892 14.2036 4.68837 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.64 14.2036 4.68837 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2902 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -253.877 14.2036 4.68837 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.886 14.2036 4.68837 0.154
protocols.relax.FastRelax: {0} CMD: min -285.49 14.4561 4.1405 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -285.49 14.4561 4.1405 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.584 14.4561 4.1405 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2749 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -246.27 14.4561 4.1405 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.157 14.4561 4.1405 0.31955
protocols.relax.FastRelax: {0} CMD: min -249.525 14.5828 3.94805 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.525 14.5828 3.94805 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.388 14.5828 3.94805 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2657 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.396 14.5828 3.94805 0.55
protocols.relax.FastRelax: {0} CMD: min -239.747 14.7978 3.44355 0.55
protocols.relax.FastRelax: {0} MRP: 2 -239.747 -239.747 14.7978 3.44355
protocols.relax.FastRelax: {0} CMD: accept_to_best -239.747 14.7978 3.44355 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -239.747 14.7978 3.44355 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.747 14.7978 3.44355 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.777 14.7978 3.44355 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3230 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -313.757 14.7978 3.44355 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -311.035 14.7978 3.44355 0.02805
protocols.relax.FastRelax: {0} CMD: min -351.777 14.2527 4.06874 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -351.777 14.2527 4.06874 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.767 14.2527 4.06874 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2978 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -252.542 14.2527 4.06874 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.06 14.2527 4.06874 0.154
protocols.relax.FastRelax: {0} CMD: min -301.113 14.5231 3.7261 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.113 14.5231 3.7261 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.319 14.5231 3.7261 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2810 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.713 14.5231 3.7261 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.433 14.5231 3.7261 0.31955
protocols.relax.FastRelax: {0} CMD: min -266.99 14.6546 3.5677 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.99 14.6546 3.5677 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.202 14.6546 3.5677 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2745 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.658 14.6546 3.5677 0.55
protocols.relax.FastRelax: {0} CMD: min -240.562 14.803 3.38821 0.55
protocols.relax.FastRelax: {0} MRP: 3 -240.562 -240.562 14.803 3.38821
protocols.relax.FastRelax: {0} CMD: accept_to_best -240.562 14.803 3.38821 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -240.562 14.803 3.38821 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.562 14.803 3.38821 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -306.508 14.803 3.38821 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3083 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -315.352 14.803 3.38821 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -313.109 14.803 3.38821 0.02805
protocols.relax.FastRelax: {0} CMD: min -342.463 14.5428 3.71308 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -342.463 14.5428 3.71308 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.183 14.5428 3.71308 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2883 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -265.5 14.5428 3.71308 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.854 14.5428 3.71308 0.154
protocols.relax.FastRelax: {0} CMD: min -297.147 14.5778 3.61414 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.147 14.5778 3.61414 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.856 14.5778 3.61414 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2756 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.388 14.5778 3.61414 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.409 14.5778 3.61414 0.31955
protocols.relax.FastRelax: {0} CMD: min -263.574 14.7075 3.45883 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.574 14.7075 3.45883 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.942 14.7075 3.45883 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2682 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.836 14.7075 3.45883 0.55
protocols.relax.FastRelax: {0} CMD: min -238.449 14.8183 3.36652 0.55
protocols.relax.FastRelax: {0} MRP: 4 -238.449 -240.562 14.803 3.38821
protocols.relax.FastRelax: {0} CMD: accept_to_best -238.449 14.8183 3.36652 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -238.449 14.8183 3.36652 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_2.pdb
protocols.relax.FastRelax: {0} CMD: repeat 74567.7 16.0616 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 74567.7 16.0616 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7557.05 16.0616 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3904 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 129.222 16.0616 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 177.214 16.0616 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -236.118 15.1009 3.08483 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.118 15.1009 3.08483 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -31.0555 15.1009 3.08483 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3408 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -133.951 15.1009 3.08483 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.923 15.1009 3.08483 0.154
protocols.relax.FastRelax: {0} CMD: min -245.556 15.5964 3.39795 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.556 15.5964 3.39795 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.809 15.5964 3.39795 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3102 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.069 15.5964 3.39795 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.274 15.5964 3.39795 0.31955
protocols.relax.FastRelax: {0} CMD: min -204.962 15.6551 3.6498 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.962 15.6551 3.6498 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.15 15.6551 3.6498 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2801 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -153.447 15.6551 3.6498 0.55
protocols.relax.FastRelax: {0} CMD: min -212.774 15.8301 4.062 0.55
protocols.relax.FastRelax: {0} MRP: 0 -212.774 -212.774 15.8301 4.062
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.774 15.8301 4.062 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.774 15.8301 4.062 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.774 15.8301 4.062 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.544 15.8301 4.062 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3334 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -290.55 15.8301 4.062 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.717 15.8301 4.062 0.02805
protocols.relax.FastRelax: {0} CMD: min -353.188 15.6347 3.86356 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -353.188 15.6347 3.86356 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.777 15.6347 3.86356 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3481 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.347 15.6347 3.86356 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.469 15.6347 3.86356 0.154
protocols.relax.FastRelax: {0} CMD: min -273.665 15.6982 3.94251 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.665 15.6982 3.94251 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.023 15.6982 3.94251 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3341 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.467 15.6982 3.94251 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.526 15.6982 3.94251 0.31955
protocols.relax.FastRelax: {0} CMD: min -239.64 15.7937 4.02691 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.64 15.7937 4.02691 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.951 15.7937 4.02691 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3172 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -195.317 15.7937 4.02691 0.55
protocols.relax.FastRelax: {0} CMD: min -221.733 15.894 4.14942 0.55
protocols.relax.FastRelax: {0} MRP: 1 -221.733 -221.733 15.894 4.14942
protocols.relax.FastRelax: {0} CMD: accept_to_best -221.733 15.894 4.14942 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -221.733 15.894 4.14942 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.733 15.894 4.14942 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.773 15.894 4.14942 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3500 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -304.187 15.894 4.14942 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.127 15.894 4.14942 0.02805
protocols.relax.FastRelax: {0} CMD: min -343.352 15.7662 4.00755 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -343.352 15.7662 4.00755 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.234 15.7662 4.00755 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3485 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.802 15.7662 4.00755 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.421 15.7662 4.00755 0.154
protocols.relax.FastRelax: {0} CMD: min -280.224 15.7306 4.06473 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.224 15.7306 4.06473 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.094 15.7306 4.06473 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3170 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.403 15.7306 4.06473 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.891 15.7306 4.06473 0.31955
protocols.relax.FastRelax: {0} CMD: min -246.364 15.824 4.09419 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.364 15.824 4.09419 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.468 15.824 4.09419 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2974 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.835 15.824 4.09419 0.55
protocols.relax.FastRelax: {0} CMD: min -222.705 15.8744 4.19679 0.55
protocols.relax.FastRelax: {0} MRP: 2 -222.705 -222.705 15.8744 4.19679
protocols.relax.FastRelax: {0} CMD: accept_to_best -222.705 15.8744 4.19679 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -222.705 15.8744 4.19679 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.705 15.8744 4.19679 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.189 15.8744 4.19679 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3493 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -306.232 15.8744 4.19679 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.892 15.8744 4.19679 0.02805
protocols.relax.FastRelax: {0} CMD: min -370.015 15.6607 4.11511 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -370.015 15.6607 4.11511 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.761 15.6607 4.11511 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3397 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.971 15.6607 4.11511 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.191 15.6607 4.11511 0.154
protocols.relax.FastRelax: {0} CMD: min -279.987 15.7432 4.13991 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.987 15.7432 4.13991 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.697 15.7432 4.13991 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3146 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -229.908 15.7432 4.13991 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.96 15.7432 4.13991 0.31955
protocols.relax.FastRelax: {0} CMD: min -245.742 15.8469 4.2592 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.742 15.8469 4.2592 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.295 15.8469 4.2592 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3114 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.581 15.8469 4.2592 0.55
protocols.relax.FastRelax: {0} CMD: min -225.366 15.9475 4.10832 0.55
protocols.relax.FastRelax: {0} MRP: 3 -225.366 -225.366 15.9475 4.10832
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.366 15.9475 4.10832 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.366 15.9475 4.10832 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.366 15.9475 4.10832 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.826 15.9475 4.10832 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3702 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -302.727 15.9475 4.10832 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.278 15.9475 4.10832 0.02805
protocols.relax.FastRelax: {0} CMD: min -359.681 15.814 4.12383 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -359.681 15.814 4.12383 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.012 15.814 4.12383 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3448 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.169 15.814 4.12383 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.306 15.814 4.12383 0.154
protocols.relax.FastRelax: {0} CMD: min -288.889 15.8721 3.99651 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.889 15.8721 3.99651 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.801 15.8721 3.99651 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3218 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.084 15.8721 3.99651 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.391 15.8721 3.99651 0.31955
protocols.relax.FastRelax: {0} CMD: min -254.519 15.9579 4.05808 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.519 15.9579 4.05808 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.699 15.9579 4.05808 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3184 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.817 15.9579 4.05808 0.55
protocols.relax.FastRelax: {0} CMD: min -228.841 15.9616 4.12531 0.55
protocols.relax.FastRelax: {0} MRP: 4 -228.841 -228.841 15.9616 4.12531
protocols.relax.FastRelax: {0} CMD: accept_to_best -228.841 15.9616 4.12531 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -228.841 15.9616 4.12531 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_23.pdb
protocols.relax.FastRelax: {0} CMD: repeat 69447 18.7197 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69447 18.7197 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7493.61 18.7197 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3359 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 132.403 18.7197 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 159.302 18.7197 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -228.25 17.9909 3.42173 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.25 17.9909 3.42173 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -86.124 17.9909 3.42173 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3045 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -127.406 17.9909 3.42173 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.968 17.9909 3.42173 0.154
protocols.relax.FastRelax: {0} CMD: min -210.364 17.659 3.79674 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.364 17.659 3.79674 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.201 17.659 3.79674 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3119 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -171.494 17.659 3.79674 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.514 17.659 3.79674 0.31955
protocols.relax.FastRelax: {0} CMD: min -183.191 17.7992 3.77272 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -183.191 17.7992 3.77272 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.31 17.7992 3.77272 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2899 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -147.643 17.7992 3.77272 0.55
protocols.relax.FastRelax: {0} CMD: min -187.125 18.1122 5.26518 0.55
protocols.relax.FastRelax: {0} MRP: 0 -187.125 -187.125 18.1122 5.26518
protocols.relax.FastRelax: {0} CMD: accept_to_best -187.125 18.1122 5.26518 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -187.125 18.1122 5.26518 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -187.125 18.1122 5.26518 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.475 18.1122 5.26518 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2971 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -254.287 18.1122 5.26518 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.701 18.1122 5.26518 0.02805
protocols.relax.FastRelax: {0} CMD: min -307.442 17.6189 5.45553 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.442 17.6189 5.45553 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.033 17.6189 5.45553 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3261 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.337 17.6189 5.45553 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.998 17.6189 5.45553 0.154
protocols.relax.FastRelax: {0} CMD: min -242.207 17.8136 5.41023 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.207 17.8136 5.41023 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.744 17.8136 5.41023 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3112 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.486 17.8136 5.41023 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.856 17.8136 5.41023 0.31955
protocols.relax.FastRelax: {0} CMD: min -212.029 17.8695 5.51841 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.029 17.8695 5.51841 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.225 17.8695 5.51841 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2784 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -172.232 17.8695 5.51841 0.55
protocols.relax.FastRelax: {0} CMD: min -195.068 18.1418 5.65324 0.55
protocols.relax.FastRelax: {0} MRP: 1 -195.068 -195.068 18.1418 5.65324
protocols.relax.FastRelax: {0} CMD: accept_to_best -195.068 18.1418 5.65324 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -195.068 18.1418 5.65324 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.068 18.1418 5.65324 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.874 18.1418 5.65324 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3198 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -269.127 18.1418 5.65324 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.726 18.1418 5.65324 0.02805
protocols.relax.FastRelax: {0} CMD: min -317.4 17.7951 5.61368 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.4 17.7951 5.61368 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.131 17.7951 5.61368 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3310 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.045 17.7951 5.61368 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.963 17.7951 5.61368 0.154
protocols.relax.FastRelax: {0} CMD: min -258.752 17.8616 5.43116 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.752 17.8616 5.43116 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.222 17.8616 5.43116 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3056 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.366 17.8616 5.43116 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.09 17.8616 5.43116 0.31955
protocols.relax.FastRelax: {0} CMD: min -225 17.9397 5.35874 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225 17.9397 5.35874 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.512 17.9397 5.35874 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2948 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -182.703 17.9397 5.35874 0.55
protocols.relax.FastRelax: {0} CMD: min -201.891 18.0315 5.23919 0.55
protocols.relax.FastRelax: {0} MRP: 2 -201.891 -201.891 18.0315 5.23919
protocols.relax.FastRelax: {0} CMD: accept_to_best -201.891 18.0315 5.23919 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -201.891 18.0315 5.23919 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.891 18.0315 5.23919 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.202 18.0315 5.23919 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3424 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -270.018 18.0315 5.23919 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.653 18.0315 5.23919 0.02805
protocols.relax.FastRelax: {0} CMD: min -309.803 17.5899 4.77154 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.803 17.5899 4.77154 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.733 17.5899 4.77154 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3404 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -226.199 17.5899 4.77154 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.779 17.5899 4.77154 0.154
protocols.relax.FastRelax: {0} CMD: min -260.629 17.6755 4.87147 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.629 17.6755 4.87147 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.946 17.6755 4.87147 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3172 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.194 17.6755 4.87147 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.073 17.6755 4.87147 0.31955
protocols.relax.FastRelax: {0} CMD: min -224.515 17.7811 5.02925 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.515 17.7811 5.02925 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.456 17.7811 5.02925 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2929 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -182.531 17.7811 5.02925 0.55
protocols.relax.FastRelax: {0} CMD: min -202.448 17.9113 4.78955 0.55
protocols.relax.FastRelax: {0} MRP: 3 -202.448 -202.448 17.9113 4.78955
protocols.relax.FastRelax: {0} CMD: accept_to_best -202.448 17.9113 4.78955 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -202.448 17.9113 4.78955 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.448 17.9113 4.78955 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.196 17.9113 4.78955 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3288 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -272.941 17.9113 4.78955 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.692 17.9113 4.78955 0.02805
protocols.relax.FastRelax: {0} CMD: min -327.077 17.3517 4.45054 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -327.077 17.3517 4.45054 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.957 17.3517 4.45054 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3345 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.624 17.3517 4.45054 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.905 17.3517 4.45054 0.154
protocols.relax.FastRelax: {0} CMD: min -267.864 17.5206 4.50771 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.864 17.5206 4.50771 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.813 17.5206 4.50771 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3128 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.322 17.5206 4.50771 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.916 17.5206 4.50771 0.31955
protocols.relax.FastRelax: {0} CMD: min -231.13 17.623 4.60854 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.13 17.623 4.60854 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.602 17.623 4.60854 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3027 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -189.095 17.623 4.60854 0.55
protocols.relax.FastRelax: {0} CMD: min -204.624 17.6302 4.2574 0.55
protocols.relax.FastRelax: {0} MRP: 4 -204.624 -204.624 17.6302 4.2574
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.624 17.6302 4.2574 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.624 17.6302 4.2574 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_15.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70507 15.2084 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70507 15.2084 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7075.62 15.2084 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2542 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -102.238 15.2084 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -74.5782 15.2084 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -298.23 14.5921 2.62802 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -298.23 14.5921 2.62802 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -149.145 14.5921 2.62802 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2773 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -186.971 14.5921 2.62802 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.273 14.5921 2.62802 0.154
protocols.relax.FastRelax: {0} CMD: min -258.839 14.4491 2.86837 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.839 14.4491 2.86837 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.204 14.4491 2.86837 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2548 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.706 14.4491 2.86837 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.147 14.4491 2.86837 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.633 14.5837 2.70261 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.633 14.5837 2.70261 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.077 14.5837 2.70261 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2454 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -175.544 14.5837 2.70261 0.55
protocols.relax.FastRelax: {0} CMD: min -212.442 14.0828 2.73448 0.55
protocols.relax.FastRelax: {0} MRP: 0 -212.442 -212.442 14.0828 2.73448
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.442 14.0828 2.73448 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.442 14.0828 2.73448 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.442 14.0828 2.73448 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.844 14.0828 2.73448 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2367 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -295.282 14.0828 2.73448 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.217 14.0828 2.73448 0.02805
protocols.relax.FastRelax: {0} CMD: min -341.14 13.7027 3.37931 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -341.14 13.7027 3.37931 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.151 13.7027 3.37931 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2795 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.461 13.7027 3.37931 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.758 13.7027 3.37931 0.154
protocols.relax.FastRelax: {0} CMD: min -280.423 13.7855 3.05636 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.423 13.7855 3.05636 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.594 13.7855 3.05636 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2554 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.831 13.7855 3.05636 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.54 13.7855 3.05636 0.31955
protocols.relax.FastRelax: {0} CMD: min -243.125 14.007 2.88718 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.125 14.007 2.88718 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.713 14.007 2.88718 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2505 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.259 14.007 2.88718 0.55
protocols.relax.FastRelax: {0} CMD: min -225.981 13.8097 3.0697 0.55
protocols.relax.FastRelax: {0} MRP: 1 -225.981 -225.981 13.8097 3.0697
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.981 13.8097 3.0697 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.981 13.8097 3.0697 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.981 13.8097 3.0697 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.489 13.8097 3.0697 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2466 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -307.037 13.8097 3.0697 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.044 13.8097 3.0697 0.02805
protocols.relax.FastRelax: {0} CMD: min -358.843 13.3201 3.59608 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -358.843 13.3201 3.59608 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.781 13.3201 3.59608 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3004 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.478 13.3201 3.59608 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.895 13.3201 3.59608 0.154
protocols.relax.FastRelax: {0} CMD: min -288.792 13.6392 3.27869 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.792 13.6392 3.27869 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.817 13.6392 3.27869 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2401 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.793 13.6392 3.27869 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.191 13.6392 3.27869 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.231 13.7005 3.19648 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.231 13.7005 3.19648 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.816 13.7005 3.19648 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2311 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.334 13.7005 3.19648 0.55
protocols.relax.FastRelax: {0} CMD: min -229.557 13.8062 3.1656 0.55
protocols.relax.FastRelax: {0} MRP: 2 -229.557 -229.557 13.8062 3.1656
protocols.relax.FastRelax: {0} CMD: accept_to_best -229.557 13.8062 3.1656 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -229.557 13.8062 3.1656 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.557 13.8062 3.1656 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.134 13.8062 3.1656 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2489 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -309.673 13.8062 3.1656 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -306.7 13.8062 3.1656 0.02805
protocols.relax.FastRelax: {0} CMD: min -359.948 13.2365 3.85471 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -359.948 13.2365 3.85471 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.784 13.2365 3.85471 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2876 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -248.289 13.2365 3.85471 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.395 13.2365 3.85471 0.154
protocols.relax.FastRelax: {0} CMD: min -296.163 13.3759 3.74199 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.163 13.3759 3.74199 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.526 13.3759 3.74199 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2272 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -253.055 13.3759 3.74199 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.663 13.3759 3.74199 0.31955
protocols.relax.FastRelax: {0} CMD: min -266.498 13.3194 3.73963 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.498 13.3194 3.73963 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.36 13.3194 3.73963 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2246 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.397 13.3194 3.73963 0.55
protocols.relax.FastRelax: {0} CMD: min -238.953 13.2339 3.71761 0.55
protocols.relax.FastRelax: {0} MRP: 3 -238.953 -238.953 13.2339 3.71761
protocols.relax.FastRelax: {0} CMD: accept_to_best -238.953 13.2339 3.71761 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -238.953 13.2339 3.71761 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.953 13.2339 3.71761 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -306.392 13.2339 3.71761 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2494 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -317.377 13.2339 3.71761 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -315.106 13.2339 3.71761 0.02805
protocols.relax.FastRelax: {0} CMD: min -354.958 13.0257 4.03267 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -354.958 13.0257 4.03267 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.799 13.0257 4.03267 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2878 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -265.661 13.0257 4.03267 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.156 13.0257 4.03267 0.154
protocols.relax.FastRelax: {0} CMD: min -302.195 13.2971 3.84825 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.195 13.2971 3.84825 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.555 13.2971 3.84825 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2425 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -261.043 13.2971 3.84825 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.805 13.2971 3.84825 0.31955
protocols.relax.FastRelax: {0} CMD: min -267.114 13.3849 3.72487 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.114 13.3849 3.72487 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.687 13.3849 3.72487 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2200 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.841 13.3849 3.72487 0.55
protocols.relax.FastRelax: {0} CMD: min -240.814 13.4734 3.6373 0.55
protocols.relax.FastRelax: {0} MRP: 4 -240.814 -240.814 13.4734 3.6373
protocols.relax.FastRelax: {0} CMD: accept_to_best -240.814 13.4734 3.6373 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -240.814 13.4734 3.6373 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_45.pdb
protocols.relax.FastRelax: {0} CMD: repeat 73102.7 15.5842 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73102.7 15.5842 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 8478.37 15.5842 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3373 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 235.079 15.5842 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 294.124 15.5842 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -19.0453 15.0859 9.60688 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -19.0453 15.0859 9.60688 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 864.262 15.0859 9.60688 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2800 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -40.721 15.0859 9.60688 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -30.0109 15.0859 9.60688 0.154
protocols.relax.FastRelax: {0} CMD: min -212.821 14.424 10.6988 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.821 14.424 10.6988 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.985 14.424 10.6988 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2685 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -184.961 14.424 10.6988 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.012 14.424 10.6988 0.31955
protocols.relax.FastRelax: {0} CMD: min -194.444 14.4105 10.7468 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.444 14.4105 10.7468 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.663 14.4105 10.7468 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2655 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -157.136 14.4105 10.7468 0.55
protocols.relax.FastRelax: {0} CMD: min -206.733 14.8606 10.7103 0.55
protocols.relax.FastRelax: {0} MRP: 0 -206.733 -206.733 14.8606 10.7103
protocols.relax.FastRelax: {0} CMD: accept_to_best -206.733 14.8606 10.7103 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -206.733 14.8606 10.7103 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.733 14.8606 10.7103 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.013 14.8606 10.7103 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2950 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -280.311 14.8606 10.7103 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.168 14.8606 10.7103 0.02805
protocols.relax.FastRelax: {0} CMD: min -316.838 14.6159 10.7223 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -316.838 14.6159 10.7223 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.702 14.6159 10.7223 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2874 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.502 14.6159 10.7223 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.208 14.6159 10.7223 0.154
protocols.relax.FastRelax: {0} CMD: min -269.883 14.6931 10.7465 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -269.883 14.6931 10.7465 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.404 14.6931 10.7465 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2803 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.809 14.6931 10.7465 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.972 14.6931 10.7465 0.31955
protocols.relax.FastRelax: {0} CMD: min -239.686 14.7295 10.7941 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.686 14.7295 10.7941 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.647 14.7295 10.7941 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2725 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -204.853 14.7295 10.7941 0.55
protocols.relax.FastRelax: {0} CMD: min -226.984 14.8857 10.8758 0.55
protocols.relax.FastRelax: {0} MRP: 1 -226.984 -226.984 14.8857 10.8758
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.984 14.8857 10.8758 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.984 14.8857 10.8758 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.984 14.8857 10.8758 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.222 14.8857 10.8758 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2925 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -291.32 14.8857 10.8758 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.581 14.8857 10.8758 0.02805
protocols.relax.FastRelax: {0} CMD: min -328.805 14.7741 10.7099 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -328.805 14.7741 10.7099 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.571 14.7741 10.7099 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2935 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -247.131 14.7741 10.7099 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.618 14.7741 10.7099 0.154
protocols.relax.FastRelax: {0} CMD: min -273.328 14.7467 10.8366 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.328 14.7467 10.8366 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.412 14.7467 10.8366 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2717 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -237.913 14.7467 10.8366 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.173 14.7467 10.8366 0.31955
protocols.relax.FastRelax: {0} CMD: min -243.353 14.7671 10.8988 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.353 14.7671 10.8988 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.334 14.7671 10.8988 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2712 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.697 14.7671 10.8988 0.55
protocols.relax.FastRelax: {0} CMD: min -229.224 14.5314 11.1048 0.55
protocols.relax.FastRelax: {0} MRP: 2 -229.224 -229.224 14.5314 11.1048
protocols.relax.FastRelax: {0} CMD: accept_to_best -229.224 14.5314 11.1048 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -229.224 14.5314 11.1048 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.224 14.5314 11.1048 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.634 14.5314 11.1048 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3069 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -294.709 14.5314 11.1048 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.416 14.5314 11.1048 0.02805
protocols.relax.FastRelax: {0} CMD: min -337.791 14.3945 11.0547 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -337.791 14.3945 11.0547 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.752 14.3945 11.0547 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3034 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -240.6 14.3945 11.0547 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.548 14.3945 11.0547 0.154
protocols.relax.FastRelax: {0} CMD: min -281.599 14.3865 11.1218 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.599 14.3865 11.1218 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.706 14.3865 11.1218 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2852 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.848 14.3865 11.1218 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.891 14.3865 11.1218 0.31955
protocols.relax.FastRelax: {0} CMD: min -250.116 14.4308 11.1156 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.116 14.4308 11.1156 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.986 14.4308 11.1156 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2821 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -210.698 14.4308 11.1156 0.55
protocols.relax.FastRelax: {0} CMD: min -229.515 14.5114 11.1073 0.55
protocols.relax.FastRelax: {0} MRP: 3 -229.515 -229.515 14.5114 11.1073
protocols.relax.FastRelax: {0} CMD: accept_to_best -229.515 14.5114 11.1073 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -229.515 14.5114 11.1073 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.515 14.5114 11.1073 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.221 14.5114 11.1073 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3132 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -295.451 14.5114 11.1073 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.745 14.5114 11.1073 0.02805
protocols.relax.FastRelax: {0} CMD: min -337.634 14.4101 11.0437 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -337.634 14.4101 11.0437 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.86 14.4101 11.0437 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3020 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.37 14.4101 11.0437 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.771 14.4101 11.0437 0.154
protocols.relax.FastRelax: {0} CMD: min -277.329 14.512 11.0366 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.329 14.512 11.0366 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.431 14.512 11.0366 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2829 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -239.114 14.512 11.0366 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.919 14.512 11.0366 0.31955
protocols.relax.FastRelax: {0} CMD: min -248.892 14.3785 11.0944 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.892 14.3785 11.0944 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.448 14.3785 11.0944 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2807 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.702 14.3785 11.0944 0.55
protocols.relax.FastRelax: {0} CMD: min -230.346 14.4933 11.1005 0.55
protocols.relax.FastRelax: {0} MRP: 4 -230.346 -230.346 14.4933 11.1005
protocols.relax.FastRelax: {0} CMD: accept_to_best -230.346 14.4933 11.1005 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -230.346 14.4933 11.1005 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_25.pdb
protocols.relax.FastRelax: {0} CMD: repeat 69282 14.5283 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69282 14.5283 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7524.44 14.5283 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2915 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 140.599 14.5283 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 175.46 14.5283 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -263.337 14.4279 1.67245 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.337 14.4279 1.67245 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -87.9394 14.4279 1.67245 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2896 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -111.855 14.4279 1.67245 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -101.722 14.4279 1.67245 0.154
protocols.relax.FastRelax: {0} CMD: min -212.381 14.647 2.17647 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.381 14.647 2.17647 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.058 14.647 2.17647 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2454 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.482 14.647 2.17647 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.312 14.647 2.17647 0.31955
protocols.relax.FastRelax: {0} CMD: min -172.781 14.6917 2.24533 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -172.781 14.6917 2.24533 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.424 14.6917 2.24533 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2423 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -121.212 14.6917 2.24533 0.55
protocols.relax.FastRelax: {0} CMD: min -172.565 14.9952 3.18887 0.55
protocols.relax.FastRelax: {0} MRP: 0 -172.565 -172.565 14.9952 3.18887
protocols.relax.FastRelax: {0} CMD: accept_to_best -172.565 14.9952 3.18887 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -172.565 14.9952 3.18887 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -172.565 14.9952 3.18887 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.134 14.9952 3.18887 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2836 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -255.274 14.9952 3.18887 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.142 14.9952 3.18887 0.02805
protocols.relax.FastRelax: {0} CMD: min -330.112 14.7998 3.35633 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -330.112 14.7998 3.35633 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.241 14.7998 3.35633 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2878 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -183.005 14.7998 3.35633 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.108 14.7998 3.35633 0.154
protocols.relax.FastRelax: {0} CMD: min -262.339 14.869 3.31507 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.339 14.869 3.31507 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.595 14.869 3.31507 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2667 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.806 14.869 3.31507 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.977 14.869 3.31507 0.31955
protocols.relax.FastRelax: {0} CMD: min -220.696 14.9589 3.44632 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.696 14.9589 3.44632 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.848 14.9589 3.44632 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2549 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -170.958 14.9589 3.44632 0.55
protocols.relax.FastRelax: {0} CMD: min -194.693 15.1221 3.72795 0.55
protocols.relax.FastRelax: {0} MRP: 1 -194.693 -194.693 15.1221 3.72795
protocols.relax.FastRelax: {0} CMD: accept_to_best -194.693 15.1221 3.72795 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -194.693 15.1221 3.72795 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.693 15.1221 3.72795 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.526 15.1221 3.72795 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2830 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -274.463 15.1221 3.72795 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.849 15.1221 3.72795 0.02805
protocols.relax.FastRelax: {0} CMD: min -324.104 14.9473 3.72974 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -324.104 14.9473 3.72974 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.077 14.9473 3.72974 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2721 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -200.234 14.9473 3.72974 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.795 14.9473 3.72974 0.154
protocols.relax.FastRelax: {0} CMD: min -253.194 14.9577 3.52757 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.194 14.9577 3.52757 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.141 14.9577 3.52757 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2612 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.878 14.9577 3.52757 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.165 14.9577 3.52757 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.061 14.8991 3.2732 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.061 14.8991 3.2732 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.851 14.8991 3.2732 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2548 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -177.86 14.8991 3.2732 0.55
protocols.relax.FastRelax: {0} CMD: min -200.093 14.6786 3.11995 0.55
protocols.relax.FastRelax: {0} MRP: 2 -200.093 -200.093 14.6786 3.11995
protocols.relax.FastRelax: {0} CMD: accept_to_best -200.093 14.6786 3.11995 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -200.093 14.6786 3.11995 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.093 14.6786 3.11995 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.331 14.6786 3.11995 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2967 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -279.17 14.6786 3.11995 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.418 14.6786 3.11995 0.02805
protocols.relax.FastRelax: {0} CMD: min -329.582 14.5737 3.23293 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.582 14.5737 3.23293 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.953 14.5737 3.23293 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2952 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.308 14.5737 3.23293 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.877 14.5737 3.23293 0.154
protocols.relax.FastRelax: {0} CMD: min -268.065 14.6491 3.218 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.065 14.6491 3.218 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.303 14.6491 3.218 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2609 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.323 14.6491 3.218 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.508 14.6491 3.218 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.629 14.6727 3.16322 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.629 14.6727 3.16322 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.185 14.6727 3.16322 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2565 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -183.537 14.6727 3.16322 0.55
protocols.relax.FastRelax: {0} CMD: min -201.152 14.6942 3.12632 0.55
protocols.relax.FastRelax: {0} MRP: 3 -201.152 -201.152 14.6942 3.12632
protocols.relax.FastRelax: {0} CMD: accept_to_best -201.152 14.6942 3.12632 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -201.152 14.6942 3.12632 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.152 14.6942 3.12632 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.287 14.6942 3.12632 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2943 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -278.481 14.6942 3.12632 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.766 14.6942 3.12632 0.02805
protocols.relax.FastRelax: {0} CMD: min -338.712 14.5985 3.34972 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -338.712 14.5985 3.34972 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.679 14.5985 3.34972 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2897 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.747 14.5985 3.34972 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.84 14.5985 3.34972 0.154
protocols.relax.FastRelax: {0} CMD: min -273.449 14.6209 3.21909 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.449 14.6209 3.21909 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.072 14.6209 3.21909 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2596 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.071 14.6209 3.21909 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.191 14.6209 3.21909 0.31955
protocols.relax.FastRelax: {0} CMD: min -233.82 14.6473 3.2009 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.82 14.6473 3.2009 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.036 14.6473 3.2009 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2581 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -186.386 14.6473 3.2009 0.55
protocols.relax.FastRelax: {0} CMD: min -207.671 14.6477 3.37923 0.55
protocols.relax.FastRelax: {0} MRP: 4 -207.671 -207.671 14.6477 3.37923
protocols.relax.FastRelax: {0} CMD: accept_to_best -207.671 14.6477 3.37923 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -207.671 14.6477 3.37923 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_36.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71851.5 16.3127 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71851.5 16.3127 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7893.19 16.3127 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2334 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -77.624 16.3127 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -46.7938 16.3127 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -267.009 15.7255 3.83147 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.009 15.7255 3.83147 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -104.314 15.7255 3.83147 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2388 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -136.628 15.7255 3.83147 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.697 15.7255 3.83147 0.154
protocols.relax.FastRelax: {0} CMD: min -205.918 16.1232 3.47239 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.918 16.1232 3.47239 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.696 16.1232 3.47239 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2259 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.912 16.1232 3.47239 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.575 16.1232 3.47239 0.31955
protocols.relax.FastRelax: {0} CMD: min -177.945 16.2019 3.86759 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.945 16.2019 3.86759 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.708 16.2019 3.86759 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2118 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -140.635 16.2019 3.86759 0.55
protocols.relax.FastRelax: {0} CMD: min -197.189 16.8224 6.46462 0.55
protocols.relax.FastRelax: {0} MRP: 0 -197.189 -197.189 16.8224 6.46462
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.189 16.8224 6.46462 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.189 16.8224 6.46462 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.189 16.8224 6.46462 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.415 16.8224 6.46462 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2293 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -263.506 16.8224 6.46462 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.704 16.8224 6.46462 0.02805
protocols.relax.FastRelax: {0} CMD: min -304.519 16.6571 6.52356 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.519 16.6571 6.52356 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.915 16.6571 6.52356 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2677 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -201.784 16.6571 6.52356 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.15 16.6571 6.52356 0.154
protocols.relax.FastRelax: {0} CMD: min -246.399 16.7125 6.8985 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.399 16.7125 6.8985 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.253 16.7125 6.8985 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2411 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.581 16.7125 6.8985 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.508 16.7125 6.8985 0.31955
protocols.relax.FastRelax: {0} CMD: min -207.399 16.7671 6.91694 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.399 16.7671 6.91694 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.37 16.7671 6.91694 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2281 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.191 16.7671 6.91694 0.55
protocols.relax.FastRelax: {0} CMD: min -208.835 16.9291 9.1543 0.55
protocols.relax.FastRelax: {0} MRP: 1 -208.835 -208.835 16.9291 9.1543
protocols.relax.FastRelax: {0} CMD: accept_to_best -208.835 16.9291 9.1543 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -208.835 16.9291 9.1543 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.835 16.9291 9.1543 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.334 16.9291 9.1543 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2630 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -282.961 16.9291 9.1543 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.961 16.9291 9.1543 0.02805
protocols.relax.FastRelax: {0} CMD: min -333.244 16.4599 8.59069 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -333.244 16.4599 8.59069 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.243 16.4599 8.59069 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3059 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.261 16.4599 8.59069 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.883 16.4599 8.59069 0.154
protocols.relax.FastRelax: {0} CMD: min -272.965 16.6212 8.81656 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.965 16.6212 8.81656 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.945 16.6212 8.81656 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2797 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.297 16.6212 8.81656 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.954 16.6212 8.81656 0.31955
protocols.relax.FastRelax: {0} CMD: min -235.812 16.7303 8.85094 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.812 16.7303 8.85094 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.359 16.7303 8.85094 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2729 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.681 16.7303 8.85094 0.55
protocols.relax.FastRelax: {0} CMD: min -223.231 16.8686 8.49248 0.55
protocols.relax.FastRelax: {0} MRP: 2 -223.231 -223.231 16.8686 8.49248
protocols.relax.FastRelax: {0} CMD: accept_to_best -223.231 16.8686 8.49248 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -223.231 16.8686 8.49248 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.231 16.8686 8.49248 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.679 16.8686 8.49248 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2821 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -298.341 16.8686 8.49248 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.762 16.8686 8.49248 0.02805
protocols.relax.FastRelax: {0} CMD: min -346.821 16.4424 8.3958 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -346.821 16.4424 8.3958 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.991 16.4424 8.3958 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3048 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.442 16.4424 8.3958 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.651 16.4424 8.3958 0.154
protocols.relax.FastRelax: {0} CMD: min -280.611 16.6187 8.56528 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.611 16.6187 8.56528 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.846 16.6187 8.56528 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2902 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -239.973 16.6187 8.56528 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.737 16.6187 8.56528 0.31955
protocols.relax.FastRelax: {0} CMD: min -246.696 16.6956 8.64434 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.696 16.6956 8.64434 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.909 16.6956 8.64434 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2739 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.126 16.6956 8.64434 0.55
protocols.relax.FastRelax: {0} CMD: min -226.464 16.8421 8.56758 0.55
protocols.relax.FastRelax: {0} MRP: 3 -226.464 -226.464 16.8421 8.56758
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.464 16.8421 8.56758 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.464 16.8421 8.56758 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.464 16.8421 8.56758 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.991 16.8421 8.56758 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2844 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -297.098 16.8421 8.56758 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.621 16.8421 8.56758 0.02805
protocols.relax.FastRelax: {0} CMD: min -327.004 16.5202 8.37984 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -327.004 16.5202 8.37984 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.077 16.5202 8.37984 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3057 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.393 16.5202 8.37984 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.142 16.5202 8.37984 0.154
protocols.relax.FastRelax: {0} CMD: min -286.424 16.6569 8.38759 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -286.424 16.6569 8.38759 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.153 16.6569 8.38759 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2850 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -247.588 16.6569 8.38759 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.501 16.6569 8.38759 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.912 16.7246 8.45483 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.912 16.7246 8.45483 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.997 16.7246 8.45483 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2657 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.289 16.7246 8.45483 0.55
protocols.relax.FastRelax: {0} CMD: min -231.258 16.8243 8.56202 0.55
protocols.relax.FastRelax: {0} MRP: 4 -231.258 -231.258 16.8243 8.56202
protocols.relax.FastRelax: {0} CMD: accept_to_best -231.258 16.8243 8.56202 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -231.258 16.8243 8.56202 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_16.pdb
protocols.relax.FastRelax: {0} CMD: repeat 76963.5 11.7886 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 76963.5 11.7886 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7231.25 11.7886 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3335 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 138.172 11.7886 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 199.844 11.7886 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -292.085 11.85 2.49107 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.085 11.85 2.49107 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -122.429 11.85 2.49107 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2890 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -151.838 11.85 2.49107 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -142.737 11.85 2.49107 0.154
protocols.relax.FastRelax: {0} CMD: min -239.476 11.9542 2.93401 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.476 11.9542 2.93401 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.831 11.9542 2.93401 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2922 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -193.614 11.9542 2.93401 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.947 11.9542 2.93401 0.31955
protocols.relax.FastRelax: {0} CMD: min -202.775 11.944 2.90839 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.775 11.944 2.90839 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.794 11.944 2.90839 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2611 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -156.055 11.944 2.90839 0.55
protocols.relax.FastRelax: {0} CMD: min -206.74 12.0214 3.51623 0.55
protocols.relax.FastRelax: {0} MRP: 0 -206.74 -206.74 12.0214 3.51623
protocols.relax.FastRelax: {0} CMD: accept_to_best -206.74 12.0214 3.51623 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -206.74 12.0214 3.51623 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.74 12.0214 3.51623 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.025 12.0214 3.51623 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3459 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -290.065 12.0214 3.51623 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.718 12.0214 3.51623 0.02805
protocols.relax.FastRelax: {0} CMD: min -359.358 12.0262 3.87942 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -359.358 12.0262 3.87942 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.938 12.0262 3.87942 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3129 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.822 12.0262 3.87942 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.775 12.0262 3.87942 0.154
protocols.relax.FastRelax: {0} CMD: min -280.49 12.0951 3.7877 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.49 12.0951 3.7877 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.26 12.0951 3.7877 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2964 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.443 12.0951 3.7877 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.605 12.0951 3.7877 0.31955
protocols.relax.FastRelax: {0} CMD: min -241.617 12.0334 3.71358 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.617 12.0334 3.71358 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.257 12.0334 3.71358 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2925 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.424 12.0334 3.71358 0.55
protocols.relax.FastRelax: {0} CMD: min -228.031 11.9944 4.06966 0.55
protocols.relax.FastRelax: {0} MRP: 1 -228.031 -228.031 11.9944 4.06966
protocols.relax.FastRelax: {0} CMD: accept_to_best -228.031 11.9944 4.06966 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -228.031 11.9944 4.06966 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.031 11.9944 4.06966 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.735 11.9944 4.06966 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3438 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -313.562 11.9944 4.06966 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -309.081 11.9944 4.06966 0.02805
protocols.relax.FastRelax: {0} CMD: min -368.808 12.363 4.58173 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -368.808 12.363 4.58173 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.487 12.363 4.58173 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3305 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -230.904 12.363 4.58173 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.706 12.363 4.58173 0.154
protocols.relax.FastRelax: {0} CMD: min -295.483 12.1973 4.15402 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.483 12.1973 4.15402 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.392 12.1973 4.15402 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2970 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.472 12.1973 4.15402 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.831 12.1973 4.15402 0.31955
protocols.relax.FastRelax: {0} CMD: min -259.76 12.1462 4.08793 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.76 12.1462 4.08793 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.204 12.1462 4.08793 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2842 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.884 12.1462 4.08793 0.55
protocols.relax.FastRelax: {0} CMD: min -238.81 12.0759 4.1223 0.55
protocols.relax.FastRelax: {0} MRP: 2 -238.81 -238.81 12.0759 4.1223
protocols.relax.FastRelax: {0} CMD: accept_to_best -238.81 12.0759 4.1223 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -238.81 12.0759 4.1223 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.81 12.0759 4.1223 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -309.368 12.0759 4.1223 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3246 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -325.114 12.0759 4.1223 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -321.134 12.0759 4.1223 0.02805
protocols.relax.FastRelax: {0} CMD: min -393.527 12.2899 4.60321 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -393.527 12.2899 4.60321 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.787 12.2899 4.60321 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3154 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.622 12.2899 4.60321 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.021 12.2899 4.60321 0.154
protocols.relax.FastRelax: {0} CMD: min -314.965 12.2895 4.40259 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -314.965 12.2895 4.40259 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.411 12.2895 4.40259 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3018 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -264.793 12.2895 4.40259 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.839 12.2895 4.40259 0.31955
protocols.relax.FastRelax: {0} CMD: min -274.578 12.2282 4.25674 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.578 12.2282 4.25674 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.081 12.2282 4.25674 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2884 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.166 12.2282 4.25674 0.55
protocols.relax.FastRelax: {0} CMD: min -246.238 12.1619 4.05076 0.55
protocols.relax.FastRelax: {0} MRP: 3 -246.238 -246.238 12.1619 4.05076
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.238 12.1619 4.05076 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.238 12.1619 4.05076 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.238 12.1619 4.05076 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.321 12.1619 4.05076 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3345 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -331.399 12.1619 4.05076 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -328.544 12.1619 4.05076 0.02805
protocols.relax.FastRelax: {0} CMD: min -386.909 12.2928 4.33194 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -386.909 12.2928 4.33194 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.389 12.2928 4.33194 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3231 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -261.878 12.2928 4.33194 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.144 12.2928 4.33194 0.154
protocols.relax.FastRelax: {0} CMD: min -315.756 12.2551 4.10335 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -315.756 12.2551 4.10335 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.274 12.2551 4.10335 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2966 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.53 12.2551 4.10335 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.711 12.2551 4.10335 0.31955
protocols.relax.FastRelax: {0} CMD: min -277.316 12.2182 4.0069 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.316 12.2182 4.0069 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.71 12.2182 4.0069 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2879 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.729 12.2182 4.0069 0.55
protocols.relax.FastRelax: {0} CMD: min -247.147 12.0466 3.90345 0.55
protocols.relax.FastRelax: {0} MRP: 4 -247.147 -247.147 12.0466 3.90345
protocols.relax.FastRelax: {0} CMD: accept_to_best -247.147 12.0466 3.90345 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -247.147 12.0466 3.90345 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_3.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71338.5 13.8809 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71338.5 13.8809 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7748.63 13.8809 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2499 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -136.683 13.8809 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -122.746 13.8809 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -270.261 14.26 4.2219 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.261 14.26 4.2219 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.057 14.26 4.2219 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2342 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -181.533 14.26 4.2219 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.488 14.26 4.2219 0.154
protocols.relax.FastRelax: {0} CMD: min -227.15 14.3631 4.06176 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.15 14.3631 4.06176 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.63 14.3631 4.06176 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2081 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -185.353 14.3631 4.06176 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.059 14.3631 4.06176 0.31955
protocols.relax.FastRelax: {0} CMD: min -195.9 14.4479 3.77299 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.9 14.4479 3.77299 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.396 14.4479 3.77299 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2005 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -156.015 14.4479 3.77299 0.55
protocols.relax.FastRelax: {0} CMD: min -210.243 13.9625 4.0121 0.55
protocols.relax.FastRelax: {0} MRP: 0 -210.243 -210.243 13.9625 4.0121
protocols.relax.FastRelax: {0} CMD: accept_to_best -210.243 13.9625 4.0121 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -210.243 13.9625 4.0121 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.243 13.9625 4.0121 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.748 13.9625 4.0121 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2177 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -278.914 13.9625 4.0121 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.268 13.9625 4.0121 0.02805
protocols.relax.FastRelax: {0} CMD: min -320.153 13.5713 5.02238 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.153 13.5713 5.02238 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.988 13.5713 5.02238 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2450 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -235.643 13.5713 5.02238 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.141 13.5713 5.02238 0.154
protocols.relax.FastRelax: {0} CMD: min -271.343 13.7508 4.89322 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.343 13.7508 4.89322 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.657 13.7508 4.89322 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2156 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.682 13.7508 4.89322 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.696 13.7508 4.89322 0.31955
protocols.relax.FastRelax: {0} CMD: min -235.577 13.791 4.85759 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.577 13.791 4.85759 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.213 13.791 4.85759 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2037 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.226 13.791 4.85759 0.55
protocols.relax.FastRelax: {0} CMD: min -223.895 14.4522 6.07739 0.55
protocols.relax.FastRelax: {0} MRP: 1 -223.895 -223.895 14.4522 6.07739
protocols.relax.FastRelax: {0} CMD: accept_to_best -223.895 14.4522 6.07739 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -223.895 14.4522 6.07739 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.895 14.4522 6.07739 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.446 14.4522 6.07739 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2179 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -289.079 14.4522 6.07739 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.982 14.4522 6.07739 0.02805
protocols.relax.FastRelax: {0} CMD: min -321.286 14.1891 5.95018 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.286 14.1891 5.95018 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.28 14.1891 5.95018 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2373 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.812 14.1891 5.95018 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.176 14.1891 5.95018 0.154
protocols.relax.FastRelax: {0} CMD: min -278.843 14.3362 5.88507 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.843 14.3362 5.88507 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.14 14.3362 5.88507 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2214 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.307 14.3362 5.88507 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.491 14.3362 5.88507 0.31955
protocols.relax.FastRelax: {0} CMD: min -244.28 14.325 5.76677 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.28 14.325 5.76677 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.149 14.325 5.76677 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2001 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.326 14.325 5.76677 0.55
protocols.relax.FastRelax: {0} CMD: min -226.524 14.601 6.21266 0.55
protocols.relax.FastRelax: {0} MRP: 2 -226.524 -226.524 14.601 6.21266
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.524 14.601 6.21266 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.524 14.601 6.21266 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.524 14.601 6.21266 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.928 14.601 6.21266 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2193 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -290.576 14.601 6.21266 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.025 14.601 6.21266 0.02805
protocols.relax.FastRelax: {0} CMD: min -326.626 14.2368 6.39493 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.626 14.2368 6.39493 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.051 14.2368 6.39493 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2601 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -230.091 14.2368 6.39493 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.095 14.2368 6.39493 0.154
protocols.relax.FastRelax: {0} CMD: min -274.079 14.4676 6.44888 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.079 14.4676 6.44888 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.728 14.4676 6.44888 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2270 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -240.885 14.4676 6.44888 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.191 14.4676 6.44888 0.31955
protocols.relax.FastRelax: {0} CMD: min -248.901 14.4527 6.31245 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.901 14.4527 6.31245 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.74 14.4527 6.31245 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2005 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.779 14.4527 6.31245 0.55
protocols.relax.FastRelax: {0} CMD: min -225.351 14.5577 6.61605 0.55
protocols.relax.FastRelax: {0} MRP: 3 -225.351 -226.524 14.601 6.21266
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.351 14.5577 6.61605 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.351 14.5577 6.61605 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.351 14.5577 6.61605 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.551 14.5577 6.61605 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2240 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -290.046 14.5577 6.61605 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.895 14.5577 6.61605 0.02805
protocols.relax.FastRelax: {0} CMD: min -329.42 14.0591 6.69667 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.42 14.0591 6.69667 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.837 14.0591 6.69667 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2847 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.031 14.0591 6.69667 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.349 14.0591 6.69667 0.154
protocols.relax.FastRelax: {0} CMD: min -278.289 14.3184 6.54065 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.289 14.3184 6.54065 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.752 14.3184 6.54065 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2306 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -240.557 14.3184 6.54065 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.503 14.3184 6.54065 0.31955
protocols.relax.FastRelax: {0} CMD: min -247.64 14.3402 6.36644 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.64 14.3402 6.36644 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.015 14.3402 6.36644 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2203 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.693 14.3402 6.36644 0.55
protocols.relax.FastRelax: {0} CMD: min -225.566 14.5923 6.61051 0.55
protocols.relax.FastRelax: {0} MRP: 4 -225.566 -226.524 14.601 6.21266
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.566 14.5923 6.61051 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.566 14.5923 6.61051 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_24.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70069.4 15.5995 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70069.4 15.5995 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7096.69 15.5995 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3165 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -78.3106 15.5995 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -38.4692 15.5995 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -260.44 15.8616 2.37027 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.44 15.8616 2.37027 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -112.571 15.8616 2.37027 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2872 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -145.758 15.8616 2.37027 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.819 15.8616 2.37027 0.154
protocols.relax.FastRelax: {0} CMD: min -212.667 15.3913 3.60392 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.667 15.3913 3.60392 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.167 15.3913 3.60392 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2421 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -172.003 15.3913 3.60392 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.608 15.3913 3.60392 0.31955
protocols.relax.FastRelax: {0} CMD: min -180.566 15.5505 3.88661 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.566 15.5505 3.88661 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.981 15.5505 3.88661 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2361 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -140.243 15.5505 3.88661 0.55
protocols.relax.FastRelax: {0} CMD: min -188.262 15.6212 4.29764 0.55
protocols.relax.FastRelax: {0} MRP: 0 -188.262 -188.262 15.6212 4.29764
protocols.relax.FastRelax: {0} CMD: accept_to_best -188.262 15.6212 4.29764 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -188.262 15.6212 4.29764 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -188.262 15.6212 4.29764 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.542 15.6212 4.29764 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2693 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -272.53 15.6212 4.29764 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.626 15.6212 4.29764 0.02805
protocols.relax.FastRelax: {0} CMD: min -287.517 15.6733 4.12774 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -287.517 15.6733 4.12774 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -167.035 15.6733 4.12774 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2669 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.867 15.6733 4.12774 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.735 15.6733 4.12774 0.154
protocols.relax.FastRelax: {0} CMD: min -252.606 15.7696 4.46164 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.606 15.7696 4.46164 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.957 15.7696 4.46164 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2418 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.07 15.7696 4.46164 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.287 15.7696 4.46164 0.31955
protocols.relax.FastRelax: {0} CMD: min -224.942 15.8934 4.76034 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.942 15.8934 4.76034 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.295 15.8934 4.76034 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2442 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -185.866 15.8934 4.76034 0.55
protocols.relax.FastRelax: {0} CMD: min -213.058 16.3203 5.85615 0.55
protocols.relax.FastRelax: {0} MRP: 1 -213.058 -213.058 16.3203 5.85615
protocols.relax.FastRelax: {0} CMD: accept_to_best -213.058 16.3203 5.85615 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -213.058 16.3203 5.85615 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.058 16.3203 5.85615 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.833 16.3203 5.85615 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2626 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -286.058 16.3203 5.85615 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.485 16.3203 5.85615 0.02805
protocols.relax.FastRelax: {0} CMD: min -329.315 15.9897 4.95907 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.315 15.9897 4.95907 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.232 15.9897 4.95907 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2638 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.719 15.9897 4.95907 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.674 15.9897 4.95907 0.154
protocols.relax.FastRelax: {0} CMD: min -267.62 16.285 5.76242 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.62 16.285 5.76242 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.365 16.285 5.76242 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2537 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.365 16.285 5.76242 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.12 16.285 5.76242 0.31955
protocols.relax.FastRelax: {0} CMD: min -230.662 16.4117 6.08471 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.662 16.4117 6.08471 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.2 16.4117 6.08471 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2413 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.529 16.4117 6.08471 0.55
protocols.relax.FastRelax: {0} CMD: min -215.621 16.7128 5.77182 0.55
protocols.relax.FastRelax: {0} MRP: 2 -215.621 -215.621 16.7128 5.77182
protocols.relax.FastRelax: {0} CMD: accept_to_best -215.621 16.7128 5.77182 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -215.621 16.7128 5.77182 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.621 16.7128 5.77182 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.707 16.7128 5.77182 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2698 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -288.698 16.7128 5.77182 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.17 16.7128 5.77182 0.02805
protocols.relax.FastRelax: {0} CMD: min -340.35 16.3134 4.52243 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -340.35 16.3134 4.52243 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.353 16.3134 4.52243 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2884 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.766 16.3134 4.52243 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.902 16.3134 4.52243 0.154
protocols.relax.FastRelax: {0} CMD: min -277.328 16.4875 5.03706 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.328 16.4875 5.03706 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.776 16.4875 5.03706 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2794 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.219 16.4875 5.03706 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.79 16.4875 5.03706 0.31955
protocols.relax.FastRelax: {0} CMD: min -247.218 16.6136 5.23149 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.218 16.6136 5.23149 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.853 16.6136 5.23149 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2497 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.139 16.6136 5.23149 0.55
protocols.relax.FastRelax: {0} CMD: min -226.011 16.7184 4.9673 0.55
protocols.relax.FastRelax: {0} MRP: 3 -226.011 -226.011 16.7184 4.9673
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.011 16.7184 4.9673 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.011 16.7184 4.9673 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.011 16.7184 4.9673 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.286 16.7184 4.9673 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2638 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -295.635 16.7184 4.9673 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.504 16.7184 4.9673 0.02805
protocols.relax.FastRelax: {0} CMD: min -346.136 16.3083 3.99425 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -346.136 16.3083 3.99425 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.968 16.3083 3.99425 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2853 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -229.076 16.3083 3.99425 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.868 16.3083 3.99425 0.154
protocols.relax.FastRelax: {0} CMD: min -282.618 16.4446 4.35159 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.618 16.4446 4.35159 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.11 16.4446 4.35159 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2597 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -242.331 16.4446 4.35159 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.955 16.4446 4.35159 0.31955
protocols.relax.FastRelax: {0} CMD: min -250.779 16.602 4.53877 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.779 16.602 4.53877 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.339 16.602 4.53877 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2583 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -208.517 16.602 4.53877 0.55
protocols.relax.FastRelax: {0} CMD: min -232.097 16.8111 4.84747 0.55
protocols.relax.FastRelax: {0} MRP: 4 -232.097 -232.097 16.8111 4.84747
protocols.relax.FastRelax: {0} CMD: accept_to_best -232.097 16.8111 4.84747 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -232.097 16.8111 4.84747 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_39.pdb
protocols.relax.FastRelax: {0} CMD: repeat 72206.4 16.0441 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72206.4 16.0441 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7753.56 16.0441 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2807 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 67.4242 16.0441 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 80.888 16.0441 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -254.478 15.7613 3.04643 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.478 15.7613 3.04643 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -106.36 15.7613 3.04643 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2663 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -157.533 15.7613 3.04643 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.917 15.7613 3.04643 0.154
protocols.relax.FastRelax: {0} CMD: min -234.939 15.8413 3.38899 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.939 15.8413 3.38899 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.117 15.8413 3.38899 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2566 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.809 15.8413 3.38899 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.53 15.8413 3.38899 0.31955
protocols.relax.FastRelax: {0} CMD: min -208.507 15.87 3.30992 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.507 15.87 3.30992 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.873 15.87 3.30992 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2465 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -170.478 15.87 3.30992 0.55
protocols.relax.FastRelax: {0} CMD: min -219.728 15.9181 3.74432 0.55
protocols.relax.FastRelax: {0} MRP: 0 -219.728 -219.728 15.9181 3.74432
protocols.relax.FastRelax: {0} CMD: accept_to_best -219.728 15.9181 3.74432 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -219.728 15.9181 3.74432 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.728 15.9181 3.74432 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.792 15.9181 3.74432 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2742 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -291.394 15.9181 3.74432 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.721 15.9181 3.74432 0.02805
protocols.relax.FastRelax: {0} CMD: min -347.463 15.7388 3.4738 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -347.463 15.7388 3.4738 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.508 15.7388 3.4738 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2755 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.316 15.7388 3.4738 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.716 15.7388 3.4738 0.154
protocols.relax.FastRelax: {0} CMD: min -292.62 15.7839 3.24537 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.62 15.7839 3.24537 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.326 15.7839 3.24537 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2641 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -254.448 15.7839 3.24537 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.452 15.7839 3.24537 0.31955
protocols.relax.FastRelax: {0} CMD: min -259.406 15.8397 3.20647 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.406 15.8397 3.20647 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.887 15.8397 3.20647 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2572 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.624 15.8397 3.20647 0.55
protocols.relax.FastRelax: {0} CMD: min -242.561 16.0219 3.2296 0.55
protocols.relax.FastRelax: {0} MRP: 1 -242.561 -242.561 16.0219 3.2296
protocols.relax.FastRelax: {0} CMD: accept_to_best -242.561 16.0219 3.2296 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -242.561 16.0219 3.2296 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.561 16.0219 3.2296 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.541 16.0219 3.2296 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2800 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -313.729 16.0219 3.2296 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -311.931 16.0219 3.2296 0.02805
protocols.relax.FastRelax: {0} CMD: min -351.856 16.0093 3.14586 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -351.856 16.0093 3.14586 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.823 16.0093 3.14586 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2943 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -258.89 16.0093 3.14586 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.045 16.0093 3.14586 0.154
protocols.relax.FastRelax: {0} CMD: min -296.51 16.023 3.11422 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.51 16.023 3.11422 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.569 16.023 3.11422 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2707 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -257.987 16.023 3.11422 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.953 16.023 3.11422 0.31955
protocols.relax.FastRelax: {0} CMD: min -262.928 16.0575 3.02884 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.928 16.0575 3.02884 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.405 16.0575 3.02884 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2559 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.566 16.0575 3.02884 0.55
protocols.relax.FastRelax: {0} CMD: min -243.487 16.0429 3.14229 0.55
protocols.relax.FastRelax: {0} MRP: 2 -243.487 -243.487 16.0429 3.14229
protocols.relax.FastRelax: {0} CMD: accept_to_best -243.487 16.0429 3.14229 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -243.487 16.0429 3.14229 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.487 16.0429 3.14229 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.472 16.0429 3.14229 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2881 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -313.841 16.0429 3.14229 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -311.99 16.0429 3.14229 0.02805
protocols.relax.FastRelax: {0} CMD: min -353.519 16.0255 3.13104 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -353.519 16.0255 3.13104 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.598 16.0255 3.13104 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2972 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -258.623 16.0255 3.13104 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.712 16.0255 3.13104 0.154
protocols.relax.FastRelax: {0} CMD: min -299.607 16.0594 3.11605 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -299.607 16.0594 3.11605 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.373 16.0594 3.11605 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2772 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.145 16.0594 3.11605 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.968 16.0594 3.11605 0.31955
protocols.relax.FastRelax: {0} CMD: min -266.487 16.0497 3.12273 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.487 16.0497 3.12273 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.084 16.0497 3.12273 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2679 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -226.542 16.0497 3.12273 0.55
protocols.relax.FastRelax: {0} CMD: min -245.231 16.0656 3.10068 0.55
protocols.relax.FastRelax: {0} MRP: 3 -245.231 -245.231 16.0656 3.10068
protocols.relax.FastRelax: {0} CMD: accept_to_best -245.231 16.0656 3.10068 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -245.231 16.0656 3.10068 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.231 16.0656 3.10068 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -304.552 16.0656 3.10068 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2972 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -313.505 16.0656 3.10068 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -311.632 16.0656 3.10068 0.02805
protocols.relax.FastRelax: {0} CMD: min -364.194 16.1932 3.21419 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.194 16.1932 3.21419 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.714 16.1932 3.21419 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3008 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.885 16.1932 3.21419 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.917 16.1932 3.21419 0.154
protocols.relax.FastRelax: {0} CMD: min -297.094 16.2626 3.02655 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.094 16.2626 3.02655 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.724 16.2626 3.02655 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2748 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -254.515 16.2626 3.02655 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.181 16.2626 3.02655 0.31955
protocols.relax.FastRelax: {0} CMD: min -263.821 16.2101 3.00879 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.821 16.2101 3.00879 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.086 16.2101 3.00879 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2684 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.533 16.2101 3.00879 0.55
protocols.relax.FastRelax: {0} CMD: min -243.253 16.2287 2.90929 0.55
protocols.relax.FastRelax: {0} MRP: 4 -243.253 -245.231 16.0656 3.10068
protocols.relax.FastRelax: {0} CMD: accept_to_best -243.253 16.2287 2.90929 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -243.253 16.2287 2.90929 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_14.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70305 15.3823 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70305 15.3823 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6694.8 15.3823 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3947 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -15.4488 15.3823 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 38.0725 15.3823 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -282.927 15.4214 1.68528 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.927 15.4214 1.68528 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -104.742 15.4214 1.68528 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3540 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -137.108 15.4214 1.68528 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.087 15.4214 1.68528 0.154
protocols.relax.FastRelax: {0} CMD: min -205.577 15.3766 1.8072 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.577 15.3766 1.8072 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.455 15.3766 1.8072 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3699 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -153.497 15.3766 1.8072 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -149.374 15.3766 1.8072 0.31955
protocols.relax.FastRelax: {0} CMD: min -176.45 15.3022 1.88493 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.45 15.3022 1.88493 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -127.27 15.3022 1.88493 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3441 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -132.844 15.3022 1.88493 0.55
protocols.relax.FastRelax: {0} CMD: min -190.447 15.2026 2.38498 0.55
protocols.relax.FastRelax: {0} MRP: 0 -190.447 -190.447 15.2026 2.38498
protocols.relax.FastRelax: {0} CMD: accept_to_best -190.447 15.2026 2.38498 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -190.447 15.2026 2.38498 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.447 15.2026 2.38498 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.864 15.2026 2.38498 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 4107 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -284.247 15.2026 2.38498 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.203 15.2026 2.38498 0.02805
protocols.relax.FastRelax: {0} CMD: min -338.355 15.1858 2.43342 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -338.355 15.1858 2.43342 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.787 15.1858 2.43342 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3858 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.218 15.1858 2.43342 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.79 15.1858 2.43342 0.154
protocols.relax.FastRelax: {0} CMD: min -261.065 15.2312 2.40942 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.065 15.2312 2.40942 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.852 15.2312 2.40942 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3781 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.735 15.2312 2.40942 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.066 15.2312 2.40942 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.239 15.2278 2.45437 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.239 15.2278 2.45437 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.336 15.2278 2.45437 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3568 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -172.656 15.2278 2.45437 0.55
protocols.relax.FastRelax: {0} CMD: min -204.661 15.3203 2.41046 0.55
protocols.relax.FastRelax: {0} MRP: 1 -204.661 -204.661 15.3203 2.41046
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.661 15.3203 2.41046 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.661 15.3203 2.41046 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.661 15.3203 2.41046 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.242 15.3203 2.41046 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 4053 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -295.966 15.3203 2.41046 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.324 15.3203 2.41046 0.02805
protocols.relax.FastRelax: {0} CMD: min -343.56 15.3038 2.45581 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -343.56 15.3038 2.45581 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.947 15.3038 2.45581 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 4097 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.007 15.3038 2.45581 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.895 15.3038 2.45581 0.154
protocols.relax.FastRelax: {0} CMD: min -281.218 15.3737 2.50438 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.218 15.3737 2.50438 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.261 15.3737 2.50438 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3808 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -234.074 15.3737 2.50438 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.295 15.3737 2.50438 0.31955
protocols.relax.FastRelax: {0} CMD: min -241.768 15.3638 2.55819 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.768 15.3638 2.55819 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.364 15.3638 2.55819 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3634 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.506 15.3638 2.55819 0.55
protocols.relax.FastRelax: {0} CMD: min -217.765 15.4187 2.75061 0.55
protocols.relax.FastRelax: {0} MRP: 2 -217.765 -217.765 15.4187 2.75061
protocols.relax.FastRelax: {0} CMD: accept_to_best -217.765 15.4187 2.75061 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -217.765 15.4187 2.75061 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.765 15.4187 2.75061 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.163 15.4187 2.75061 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 4076 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -303.349 15.4187 2.75061 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.469 15.4187 2.75061 0.02805
protocols.relax.FastRelax: {0} CMD: min -364.644 15.4613 2.75381 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.644 15.4613 2.75381 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.803 15.4613 2.75381 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 4000 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.909 15.4613 2.75381 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.061 15.4613 2.75381 0.154
protocols.relax.FastRelax: {0} CMD: min -283.73 15.4101 2.69659 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -283.73 15.4101 2.69659 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.826 15.4101 2.69659 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3754 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.908 15.4101 2.69659 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.651 15.4101 2.69659 0.31955
protocols.relax.FastRelax: {0} CMD: min -248.032 15.413 2.75843 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.032 15.413 2.75843 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.831 15.413 2.75843 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3645 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -197.216 15.413 2.75843 0.55
protocols.relax.FastRelax: {0} CMD: min -216.946 15.4248 2.70584 0.55
protocols.relax.FastRelax: {0} MRP: 3 -216.946 -217.765 15.4187 2.75061
protocols.relax.FastRelax: {0} CMD: accept_to_best -216.946 15.4248 2.70584 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -216.946 15.4248 2.70584 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.946 15.4248 2.70584 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.294 15.4248 2.70584 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3845 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -304.379 15.4248 2.70584 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.167 15.4248 2.70584 0.02805
protocols.relax.FastRelax: {0} CMD: min -368.131 15.5437 2.67065 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -368.131 15.5437 2.67065 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.13 15.5437 2.67065 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3950 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.522 15.5437 2.67065 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.652 15.5437 2.67065 0.154
protocols.relax.FastRelax: {0} CMD: min -288.736 15.5342 2.76081 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.736 15.5342 2.76081 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.331 15.5342 2.76081 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3779 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -234.61 15.5342 2.76081 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.346 15.5342 2.76081 0.31955
protocols.relax.FastRelax: {0} CMD: min -242.826 15.4809 2.81084 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.826 15.4809 2.81084 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.732 15.4809 2.81084 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3584 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -188.188 15.4809 2.81084 0.55
protocols.relax.FastRelax: {0} CMD: min -215.413 15.4382 2.78381 0.55
protocols.relax.FastRelax: {0} MRP: 4 -215.413 -217.765 15.4187 2.75061
protocols.relax.FastRelax: {0} CMD: accept_to_best -215.413 15.4382 2.78381 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -215.413 15.4382 2.78381 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_47.pdb
protocols.relax.FastRelax: {0} CMD: repeat 75885.3 14.8574 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75885.3 14.8574 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 8083.93 14.8574 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2723 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 114.582 14.8574 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 128.957 14.8574 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -250.814 15.0447 4.95991 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.814 15.0447 4.95991 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.744 15.0447 4.95991 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3029 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -147.182 15.0447 4.95991 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.829 15.0447 4.95991 0.154
protocols.relax.FastRelax: {0} CMD: min -204.281 15.3218 6.11993 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.281 15.3218 6.11993 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.691 15.3218 6.11993 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2740 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -167.918 15.3218 6.11993 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.867 15.3218 6.11993 0.31955
protocols.relax.FastRelax: {0} CMD: min -176.211 15.4436 6.19689 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.211 15.4436 6.19689 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.971 15.4436 6.19689 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2810 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -135.048 15.4436 6.19689 0.55
protocols.relax.FastRelax: {0} CMD: min -178.674 15.7734 6.21511 0.55
protocols.relax.FastRelax: {0} MRP: 0 -178.674 -178.674 15.7734 6.21511
protocols.relax.FastRelax: {0} CMD: accept_to_best -178.674 15.7734 6.21511 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -178.674 15.7734 6.21511 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -178.674 15.7734 6.21511 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.845 15.7734 6.21511 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2932 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -261.138 15.7734 6.21511 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.411 15.7734 6.21511 0.02805
protocols.relax.FastRelax: {0} CMD: min -305.935 15.4787 5.70776 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -305.935 15.4787 5.70776 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.899 15.4787 5.70776 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3148 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.664 15.4787 5.70776 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.644 15.4787 5.70776 0.154
protocols.relax.FastRelax: {0} CMD: min -250.552 15.6978 5.57972 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.552 15.6978 5.57972 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.696 15.6978 5.57972 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3079 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.156 15.6978 5.57972 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.016 15.6978 5.57972 0.31955
protocols.relax.FastRelax: {0} CMD: min -217.419 15.7879 5.702 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.419 15.7879 5.702 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.717 15.7879 5.702 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2830 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -180.178 15.7879 5.702 0.55
protocols.relax.FastRelax: {0} CMD: min -205.353 15.9249 6.22864 0.55
protocols.relax.FastRelax: {0} MRP: 1 -205.353 -205.353 15.9249 6.22864
protocols.relax.FastRelax: {0} CMD: accept_to_best -205.353 15.9249 6.22864 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -205.353 15.9249 6.22864 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.353 15.9249 6.22864 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.381 15.9249 6.22864 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3095 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -276.836 15.9249 6.22864 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.472 15.9249 6.22864 0.02805
protocols.relax.FastRelax: {0} CMD: min -303.881 15.5948 5.66159 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.881 15.5948 5.66159 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.369 15.5948 5.66159 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3145 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.64 15.5948 5.66159 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.396 15.5948 5.66159 0.154
protocols.relax.FastRelax: {0} CMD: min -255.8 15.8402 6.13495 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.8 15.8402 6.13495 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.314 15.8402 6.13495 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2949 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.649 15.8402 6.13495 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.668 15.8402 6.13495 0.31955
protocols.relax.FastRelax: {0} CMD: min -230.684 15.9142 6.28238 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.684 15.9142 6.28238 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.047 15.9142 6.28238 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2777 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -194.147 15.9142 6.28238 0.55
protocols.relax.FastRelax: {0} CMD: min -209.216 15.9084 6.52281 0.55
protocols.relax.FastRelax: {0} MRP: 2 -209.216 -209.216 15.9084 6.52281
protocols.relax.FastRelax: {0} CMD: accept_to_best -209.216 15.9084 6.52281 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -209.216 15.9084 6.52281 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.216 15.9084 6.52281 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.84 15.9084 6.52281 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2839 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -277.514 15.9084 6.52281 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.236 15.9084 6.52281 0.02805
protocols.relax.FastRelax: {0} CMD: min -296.843 15.7633 6.38942 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.843 15.7633 6.38942 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.759 15.7633 6.38942 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2918 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.973 15.7633 6.38942 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.233 15.7633 6.38942 0.154
protocols.relax.FastRelax: {0} CMD: min -255.996 15.8954 6.44578 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.996 15.8954 6.44578 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.128 15.8954 6.44578 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2770 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.559 15.8954 6.44578 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.987 15.8954 6.44578 0.31955
protocols.relax.FastRelax: {0} CMD: min -230.336 15.9217 6.59018 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.336 15.9217 6.59018 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.032 15.9217 6.59018 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2711 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.262 15.9217 6.59018 0.55
protocols.relax.FastRelax: {0} CMD: min -209.222 15.8891 6.84773 0.55
protocols.relax.FastRelax: {0} MRP: 3 -209.222 -209.222 15.8891 6.84773
protocols.relax.FastRelax: {0} CMD: accept_to_best -209.222 15.8891 6.84773 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -209.222 15.8891 6.84773 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.222 15.8891 6.84773 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.586 15.8891 6.84773 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2879 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -275.734 15.8891 6.84773 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.469 15.8891 6.84773 0.02805
protocols.relax.FastRelax: {0} CMD: min -289.877 15.6084 6.55965 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.877 15.6084 6.55965 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.264 15.6084 6.55965 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2915 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.319 15.6084 6.55965 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.469 15.6084 6.55965 0.154
protocols.relax.FastRelax: {0} CMD: min -257.941 15.7802 6.55905 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.941 15.7802 6.55905 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.236 15.7802 6.55905 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2865 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -226.689 15.7802 6.55905 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.279 15.7802 6.55905 0.31955
protocols.relax.FastRelax: {0} CMD: min -232.851 15.8264 6.74249 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.851 15.8264 6.74249 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.129 15.8264 6.74249 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2714 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -198.15 15.8264 6.74249 0.55
protocols.relax.FastRelax: {0} CMD: min -212.33 15.876 6.69068 0.55
protocols.relax.FastRelax: {0} MRP: 4 -212.33 -212.33 15.876 6.69068
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.33 15.876 6.69068 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.33 15.876 6.69068 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_34.pdb
protocols.relax.FastRelax: {0} CMD: repeat 75006.1 15.6462 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75006.1 15.6462 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7524.07 15.6462 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2126 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 103.789 15.6462 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 130.435 15.6462 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -270.75 15.8599 4.45274 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.75 15.8599 4.45274 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.998 15.8599 4.45274 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2659 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -180.508 15.8599 4.45274 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.502 15.8599 4.45274 0.154
protocols.relax.FastRelax: {0} CMD: min -246.393 16.0509 4.83154 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.393 16.0509 4.83154 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.927 16.0509 4.83154 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2501 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.396 16.0509 4.83154 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.138 16.0509 4.83154 0.31955
protocols.relax.FastRelax: {0} CMD: min -228.192 15.979 4.56335 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.192 15.979 4.56335 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.772 15.979 4.56335 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2535 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.402 15.979 4.56335 0.55
protocols.relax.FastRelax: {0} CMD: min -222.786 16.1072 4.8648 0.55
protocols.relax.FastRelax: {0} MRP: 0 -222.786 -222.786 16.1072 4.8648
protocols.relax.FastRelax: {0} CMD: accept_to_best -222.786 16.1072 4.8648 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -222.786 16.1072 4.8648 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.786 16.1072 4.8648 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.598 16.1072 4.8648 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2789 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -297.051 16.1072 4.8648 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.719 16.1072 4.8648 0.02805
protocols.relax.FastRelax: {0} CMD: min -329.593 16.0323 5.38733 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.593 16.0323 5.38733 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.339 16.0323 5.38733 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2900 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.135 16.0323 5.38733 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.601 16.0323 5.38733 0.154
protocols.relax.FastRelax: {0} CMD: min -275.685 16.0533 5.30358 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.685 16.0533 5.30358 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.039 16.0533 5.30358 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2817 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.204 16.0533 5.30358 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.322 16.0533 5.30358 0.31955
protocols.relax.FastRelax: {0} CMD: min -242.922 16.1201 5.10884 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.922 16.1201 5.10884 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.103 16.1201 5.10884 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2621 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -201.512 16.1201 5.10884 0.55
protocols.relax.FastRelax: {0} CMD: min -225.926 16.0715 5.10539 0.55
protocols.relax.FastRelax: {0} MRP: 1 -225.926 -225.926 16.0715 5.10539
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.926 16.0715 5.10539 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.926 16.0715 5.10539 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.926 16.0715 5.10539 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.689 16.0715 5.10539 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2973 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -305.826 16.0715 5.10539 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.855 16.0715 5.10539 0.02805
protocols.relax.FastRelax: {0} CMD: min -354.973 16.0264 5.65892 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -354.973 16.0264 5.65892 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.483 16.0264 5.65892 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3081 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -248.422 16.0264 5.65892 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.111 16.0264 5.65892 0.154
protocols.relax.FastRelax: {0} CMD: min -289.502 16.0318 5.47441 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.502 16.0318 5.47441 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.847 16.0318 5.47441 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2672 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -249.516 16.0318 5.47441 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.301 16.0318 5.47441 0.31955
protocols.relax.FastRelax: {0} CMD: min -258.141 16.0603 5.30077 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.141 16.0603 5.30077 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.704 16.0603 5.30077 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2638 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.781 16.0603 5.30077 0.55
protocols.relax.FastRelax: {0} CMD: min -232.449 16.0918 5.29182 0.55
protocols.relax.FastRelax: {0} MRP: 2 -232.449 -232.449 16.0918 5.29182
protocols.relax.FastRelax: {0} CMD: accept_to_best -232.449 16.0918 5.29182 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -232.449 16.0918 5.29182 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.449 16.0918 5.29182 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.814 16.0918 5.29182 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2900 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -308.788 16.0918 5.29182 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.216 16.0918 5.29182 0.02805
protocols.relax.FastRelax: {0} CMD: min -364.548 15.9905 5.81476 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.548 15.9905 5.81476 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.424 15.9905 5.81476 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3045 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.647 15.9905 5.81476 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.222 15.9905 5.81476 0.154
protocols.relax.FastRelax: {0} CMD: min -293.561 16.079 5.63938 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -293.561 16.079 5.63938 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.389 16.079 5.63938 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2796 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -249.369 16.079 5.63938 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.895 16.079 5.63938 0.31955
protocols.relax.FastRelax: {0} CMD: min -256.282 16.1031 5.5328 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.282 16.1031 5.5328 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.091 16.1031 5.5328 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2671 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.919 16.1031 5.5328 0.55
protocols.relax.FastRelax: {0} CMD: min -237.087 16.1674 5.60392 0.55
protocols.relax.FastRelax: {0} MRP: 3 -237.087 -237.087 16.1674 5.60392
protocols.relax.FastRelax: {0} CMD: accept_to_best -237.087 16.1674 5.60392 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -237.087 16.1674 5.60392 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.087 16.1674 5.60392 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.047 16.1674 5.60392 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2845 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -310.409 16.1674 5.60392 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308.769 16.1674 5.60392 0.02805
protocols.relax.FastRelax: {0} CMD: min -364.321 16.0167 5.99663 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.321 16.0167 5.99663 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.677 16.0167 5.99663 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3161 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.275 16.0167 5.99663 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.433 16.0167 5.99663 0.154
protocols.relax.FastRelax: {0} CMD: min -302.18 16.1658 5.92469 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.18 16.1658 5.92469 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.136 16.1658 5.92469 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2801 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -254.089 16.1658 5.92469 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.575 16.1658 5.92469 0.31955
protocols.relax.FastRelax: {0} CMD: min -266.829 16.2636 5.93039 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.829 16.2636 5.93039 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.373 16.2636 5.93039 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2809 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.682 16.2636 5.93039 0.55
protocols.relax.FastRelax: {0} CMD: min -246.406 16.3181 5.91726 0.55
protocols.relax.FastRelax: {0} MRP: 4 -246.406 -246.406 16.3181 5.91726
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.406 16.3181 5.91726 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.406 16.3181 5.91726 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_41.pdb
protocols.relax.FastRelax: {0} CMD: repeat 68367.8 11.229 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68367.8 11.229 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6600.99 11.229 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3310 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 126.96 11.229 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 161.339 11.229 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -40.6424 11.7354 5.02577 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -40.6424 11.7354 5.02577 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 918.27 11.7354 5.02577 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3031 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -124.921 11.7354 5.02577 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -117.078 11.7354 5.02577 0.154
protocols.relax.FastRelax: {0} CMD: min -225.341 11.7383 5.76336 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.341 11.7383 5.76336 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.433 11.7383 5.76336 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2785 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -185.451 11.7383 5.76336 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.022 11.7383 5.76336 0.31955
protocols.relax.FastRelax: {0} CMD: min -203.18 11.8718 6.19578 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.18 11.8718 6.19578 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.94 11.8718 6.19578 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2808 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -165.102 11.8718 6.19578 0.55
protocols.relax.FastRelax: {0} CMD: min -209.593 11.9429 6.66009 0.55
protocols.relax.FastRelax: {0} MRP: 0 -209.593 -209.593 11.9429 6.66009
protocols.relax.FastRelax: {0} CMD: accept_to_best -209.593 11.9429 6.66009 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -209.593 11.9429 6.66009 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.593 11.9429 6.66009 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.848 11.9429 6.66009 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2780 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -283.835 11.9429 6.66009 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.383 11.9429 6.66009 0.02805
protocols.relax.FastRelax: {0} CMD: min -320.877 12.2038 6.60989 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.877 12.2038 6.60989 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.671 12.2038 6.60989 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2985 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.547 12.2038 6.60989 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.334 12.2038 6.60989 0.154
protocols.relax.FastRelax: {0} CMD: min -267.416 12.0036 6.38271 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.416 12.0036 6.38271 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.606 12.0036 6.38271 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2895 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.206 12.0036 6.38271 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.259 12.0036 6.38271 0.31955
protocols.relax.FastRelax: {0} CMD: min -239.992 11.8747 6.42725 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.992 11.8747 6.42725 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.34 11.8747 6.42725 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2732 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -200.44 11.8747 6.42725 0.55
protocols.relax.FastRelax: {0} CMD: min -228.833 11.8619 7.11141 0.55
protocols.relax.FastRelax: {0} MRP: 1 -228.833 -228.833 11.8619 7.11141
protocols.relax.FastRelax: {0} CMD: accept_to_best -228.833 11.8619 7.11141 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -228.833 11.8619 7.11141 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.833 11.8619 7.11141 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.382 11.8619 7.11141 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3059 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -293.763 11.8619 7.11141 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.48 11.8619 7.11141 0.02805
protocols.relax.FastRelax: {0} CMD: min -333.735 11.9469 6.50616 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -333.735 11.9469 6.50616 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.025 11.9469 6.50616 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2989 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -237.708 11.9469 6.50616 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.585 11.9469 6.50616 0.154
protocols.relax.FastRelax: {0} CMD: min -280.67 11.8404 6.79174 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.67 11.8404 6.79174 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.713 11.8404 6.79174 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2795 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -244.592 11.8404 6.79174 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.78 11.8404 6.79174 0.31955
protocols.relax.FastRelax: {0} CMD: min -251.756 11.8968 7.12997 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.756 11.8968 7.12997 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.648 11.8968 7.12997 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2640 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.601 11.8968 7.12997 0.55
protocols.relax.FastRelax: {0} CMD: min -230.813 11.8547 7.25225 0.55
protocols.relax.FastRelax: {0} MRP: 2 -230.813 -230.813 11.8547 7.25225
protocols.relax.FastRelax: {0} CMD: accept_to_best -230.813 11.8547 7.25225 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -230.813 11.8547 7.25225 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.813 11.8547 7.25225 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.992 11.8547 7.25225 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3019 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -296.528 11.8547 7.25225 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.126 11.8547 7.25225 0.02805
protocols.relax.FastRelax: {0} CMD: min -329.319 11.8822 6.80049 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.319 11.8822 6.80049 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.201 11.8822 6.80049 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3091 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -249.596 11.8822 6.80049 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.785 11.8822 6.80049 0.154
protocols.relax.FastRelax: {0} CMD: min -282.61 11.7218 7.07131 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.61 11.7218 7.07131 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.549 11.7218 7.07131 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2794 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -247.865 11.7218 7.07131 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.117 11.7218 7.07131 0.31955
protocols.relax.FastRelax: {0} CMD: min -252.234 11.7274 7.12668 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.234 11.7274 7.12668 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.955 11.7274 7.12668 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2669 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.027 11.7274 7.12668 0.55
protocols.relax.FastRelax: {0} CMD: min -231.876 11.8106 7.24556 0.55
protocols.relax.FastRelax: {0} MRP: 3 -231.876 -231.876 11.8106 7.24556
protocols.relax.FastRelax: {0} CMD: accept_to_best -231.876 11.8106 7.24556 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -231.876 11.8106 7.24556 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.876 11.8106 7.24556 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -290.29 11.8106 7.24556 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2954 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -299.06 11.8106 7.24556 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.278 11.8106 7.24556 0.02805
protocols.relax.FastRelax: {0} CMD: min -332.419 11.901 6.77415 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -332.419 11.901 6.77415 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.089 11.901 6.77415 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2966 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -246.543 11.901 6.77415 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.36 11.901 6.77415 0.154
protocols.relax.FastRelax: {0} CMD: min -284.197 11.8552 7.12971 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.197 11.8552 7.12971 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.36 11.8552 7.12971 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2804 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.052 11.8552 7.12971 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.311 11.8552 7.12971 0.31955
protocols.relax.FastRelax: {0} CMD: min -254.137 11.8422 7.11511 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.137 11.8422 7.11511 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.399 11.8422 7.11511 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2668 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.209 11.8422 7.11511 0.55
protocols.relax.FastRelax: {0} CMD: min -231.505 11.8168 7.26989 0.55
protocols.relax.FastRelax: {0} MRP: 4 -231.505 -231.876 11.8106 7.24556
protocols.relax.FastRelax: {0} CMD: accept_to_best -231.505 11.8168 7.26989 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -231.505 11.8168 7.26989 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_22.pdb
protocols.relax.FastRelax: {0} CMD: repeat 72848.1 13.7828 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72848.1 13.7828 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7069.36 13.7828 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3068 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 240.913 13.7828 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 295.845 13.7828 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -205.355 11.7673 4.83728 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.355 11.7673 4.83728 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -68.7414 11.7673 4.83728 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2395 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -92.2366 11.7673 4.83728 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -84.8532 11.7673 4.83728 0.154
protocols.relax.FastRelax: {0} CMD: min -175.941 12.2621 4.26808 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -175.941 12.2621 4.26808 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -133.207 12.2621 4.26808 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2232 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -136.65 12.2621 4.26808 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -133.288 12.2621 4.26808 0.31955
protocols.relax.FastRelax: {0} CMD: min -145.288 12.3907 4.16608 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -145.288 12.3907 4.16608 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -99.5827 12.3907 4.16608 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2202 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -99.5368 12.3907 4.16608 0.55
protocols.relax.FastRelax: {0} CMD: min -162.963 11.8967 4.93776 0.55
protocols.relax.FastRelax: {0} MRP: 0 -162.963 -162.963 11.8967 4.93776
protocols.relax.FastRelax: {0} CMD: accept_to_best -162.963 11.8967 4.93776 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -162.963 11.8967 4.93776 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -162.963 11.8967 4.93776 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.622 11.8967 4.93776 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2656 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -249.082 11.8967 4.93776 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.653 11.8967 4.93776 0.02805
protocols.relax.FastRelax: {0} CMD: min -291.844 11.8621 4.45842 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.844 11.8621 4.45842 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.853 11.8621 4.45842 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2750 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.112 11.8621 4.45842 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.898 11.8621 4.45842 0.154
protocols.relax.FastRelax: {0} CMD: min -237.76 11.8746 4.69888 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.76 11.8746 4.69888 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.539 11.8746 4.69888 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2493 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -198.272 11.8746 4.69888 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.097 11.8746 4.69888 0.31955
protocols.relax.FastRelax: {0} CMD: min -204.735 11.8669 4.83838 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.735 11.8669 4.83838 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.595 11.8669 4.83838 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2452 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -161.956 11.8669 4.83838 0.55
protocols.relax.FastRelax: {0} CMD: min -191.257 11.7499 5.05079 0.55
protocols.relax.FastRelax: {0} MRP: 1 -191.257 -191.257 11.7499 5.05079
protocols.relax.FastRelax: {0} CMD: accept_to_best -191.257 11.7499 5.05079 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -191.257 11.7499 5.05079 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.257 11.7499 5.05079 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.099 11.7499 5.05079 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2651 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -269.455 11.7499 5.05079 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.795 11.7499 5.05079 0.02805
protocols.relax.FastRelax: {0} CMD: min -303.008 11.7777 4.47062 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.008 11.7777 4.47062 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.331 11.7777 4.47062 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2669 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.027 11.7777 4.47062 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.489 11.7777 4.47062 0.154
protocols.relax.FastRelax: {0} CMD: min -250.918 11.7414 4.71744 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.918 11.7414 4.71744 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.731 11.7414 4.71744 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2470 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.239 11.7414 4.71744 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.181 11.7414 4.71744 0.31955
protocols.relax.FastRelax: {0} CMD: min -219.567 11.7117 4.92255 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.567 11.7117 4.92255 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.257 11.7117 4.92255 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2391 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -178.203 11.7117 4.92255 0.55
protocols.relax.FastRelax: {0} CMD: min -194.909 11.659 5.09077 0.55
protocols.relax.FastRelax: {0} MRP: 2 -194.909 -194.909 11.659 5.09077
protocols.relax.FastRelax: {0} CMD: accept_to_best -194.909 11.659 5.09077 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -194.909 11.659 5.09077 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.909 11.659 5.09077 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.271 11.659 5.09077 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2666 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -274.112 11.659 5.09077 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.238 11.659 5.09077 0.02805
protocols.relax.FastRelax: {0} CMD: min -311.859 11.7311 4.48834 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.859 11.7311 4.48834 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.475 11.7311 4.48834 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2696 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.315 11.7311 4.48834 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.503 11.7311 4.48834 0.154
protocols.relax.FastRelax: {0} CMD: min -250.81 11.7256 4.65066 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.81 11.7256 4.65066 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.685 11.7256 4.65066 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2580 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.638 11.7256 4.65066 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.424 11.7256 4.65066 0.31955
protocols.relax.FastRelax: {0} CMD: min -220.151 11.668 4.91688 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.151 11.668 4.91688 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.585 11.668 4.91688 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2420 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -178.601 11.668 4.91688 0.55
protocols.relax.FastRelax: {0} CMD: min -195.515 11.7005 4.97389 0.55
protocols.relax.FastRelax: {0} MRP: 3 -195.515 -195.515 11.7005 4.97389
protocols.relax.FastRelax: {0} CMD: accept_to_best -195.515 11.7005 4.97389 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -195.515 11.7005 4.97389 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.515 11.7005 4.97389 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.988 11.7005 4.97389 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2662 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -274.071 11.7005 4.97389 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.363 11.7005 4.97389 0.02805
protocols.relax.FastRelax: {0} CMD: min -317.996 11.7442 4.33747 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.996 11.7442 4.33747 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.619 11.7442 4.33747 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2800 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.991 11.7442 4.33747 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.207 11.7442 4.33747 0.154
protocols.relax.FastRelax: {0} CMD: min -256.459 11.822 4.42055 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.459 11.822 4.42055 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.741 11.822 4.42055 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2641 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.772 11.822 4.42055 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.3 11.822 4.42055 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.244 11.7998 4.62259 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.244 11.7998 4.62259 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.195 11.7998 4.62259 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2514 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.46 11.7998 4.62259 0.55
protocols.relax.FastRelax: {0} CMD: min -201.081 11.6074 5.07716 0.55
protocols.relax.FastRelax: {0} MRP: 4 -201.081 -201.081 11.6074 5.07716
protocols.relax.FastRelax: {0} CMD: accept_to_best -201.081 11.6074 5.07716 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -201.081 11.6074 5.07716 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_37.pdb
protocols.relax.FastRelax: {0} CMD: repeat 76828.4 13.6951 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 76828.4 13.6951 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7436.3 13.6951 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3502 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 7.38801 13.6951 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 61.5738 13.6951 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -237.82 13.6248 2.33159 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.82 13.6248 2.33159 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -79.2973 13.6248 2.33159 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2890 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -94.0763 13.6248 2.33159 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -84.5149 13.6248 2.33159 0.154
protocols.relax.FastRelax: {0} CMD: min -180.459 13.566 2.48514 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.459 13.566 2.48514 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -135.978 13.566 2.48514 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2407 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -138.251 13.566 2.48514 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.792 13.566 2.48514 0.31955
protocols.relax.FastRelax: {0} CMD: min -166.111 13.6335 2.62419 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -166.111 13.6335 2.62419 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.471 13.6335 2.62419 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2355 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -128.898 13.6335 2.62419 0.55
protocols.relax.FastRelax: {0} CMD: min -165.959 13.6108 3.53049 0.55
protocols.relax.FastRelax: {0} MRP: 0 -165.959 -165.959 13.6108 3.53049
protocols.relax.FastRelax: {0} CMD: accept_to_best -165.959 13.6108 3.53049 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -165.959 13.6108 3.53049 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -165.959 13.6108 3.53049 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.371 13.6108 3.53049 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2714 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -242.569 13.6108 3.53049 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.304 13.6108 3.53049 0.02805
protocols.relax.FastRelax: {0} CMD: min -295.931 13.5897 3.54214 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.931 13.5897 3.54214 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.548 13.5897 3.54214 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2862 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -188.798 13.5897 3.54214 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.847 13.5897 3.54214 0.154
protocols.relax.FastRelax: {0} CMD: min -235.622 13.5881 3.65083 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.622 13.5881 3.65083 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.161 13.5881 3.65083 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2504 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -198.506 13.5881 3.65083 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.571 13.5881 3.65083 0.31955
protocols.relax.FastRelax: {0} CMD: min -203.031 13.6171 3.7029 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.031 13.6171 3.7029 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.634 13.6171 3.7029 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2420 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -164.015 13.6171 3.7029 0.55
protocols.relax.FastRelax: {0} CMD: min -189 13.5576 4.12839 0.55
protocols.relax.FastRelax: {0} MRP: 1 -189 -189 13.5576 4.12839
protocols.relax.FastRelax: {0} CMD: accept_to_best -189 13.5576 4.12839 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -189 13.5576 4.12839 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189 13.5576 4.12839 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.969 13.5576 4.12839 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2772 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -261.363 13.5576 4.12839 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.316 13.5576 4.12839 0.02805
protocols.relax.FastRelax: {0} CMD: min -312.847 13.435 3.95806 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.847 13.435 3.95806 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.154 13.435 3.95806 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2747 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.353 13.435 3.95806 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.504 13.435 3.95806 0.154
protocols.relax.FastRelax: {0} CMD: min -258.156 13.4599 4.04072 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.156 13.4599 4.04072 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.461 13.4599 4.04072 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2630 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.595 13.4599 4.04072 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.35 13.4599 4.04072 0.31955
protocols.relax.FastRelax: {0} CMD: min -220.75 13.5149 4.049 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.75 13.5149 4.049 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.006 13.5149 4.049 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2529 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -177.433 13.5149 4.049 0.55
protocols.relax.FastRelax: {0} CMD: min -195.211 13.5999 4.12627 0.55
protocols.relax.FastRelax: {0} MRP: 2 -195.211 -195.211 13.5999 4.12627
protocols.relax.FastRelax: {0} CMD: accept_to_best -195.211 13.5999 4.12627 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -195.211 13.5999 4.12627 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.211 13.5999 4.12627 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.473 13.5999 4.12627 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2766 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -268.204 13.5999 4.12627 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.93 13.5999 4.12627 0.02805
protocols.relax.FastRelax: {0} CMD: min -315.279 13.5894 3.94619 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -315.279 13.5894 3.94619 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.934 13.5894 3.94619 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2725 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.087 13.5894 3.94619 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.395 13.5894 3.94619 0.154
protocols.relax.FastRelax: {0} CMD: min -260.427 13.5136 4.10456 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.427 13.5136 4.10456 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.534 13.5136 4.10456 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2549 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.634 13.5136 4.10456 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.362 13.5136 4.10456 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.731 13.5406 4.15567 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.731 13.5406 4.15567 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.117 13.5406 4.15567 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2397 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -178.543 13.5406 4.15567 0.55
protocols.relax.FastRelax: {0} CMD: min -197.245 13.5726 4.15014 0.55
protocols.relax.FastRelax: {0} MRP: 3 -197.245 -197.245 13.5726 4.15014
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.245 13.5726 4.15014 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.245 13.5726 4.15014 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.245 13.5726 4.15014 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.588 13.5726 4.15014 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2741 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -266.903 13.5726 4.15014 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.842 13.5726 4.15014 0.02805
protocols.relax.FastRelax: {0} CMD: min -320.467 13.5807 4.05225 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.467 13.5807 4.05225 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.723 13.5807 4.05225 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2724 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.327 13.5807 4.05225 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.336 13.5807 4.05225 0.154
protocols.relax.FastRelax: {0} CMD: min -259.876 13.4825 4.19065 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.876 13.4825 4.19065 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.248 13.4825 4.19065 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2583 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.339 13.4825 4.19065 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.087 13.4825 4.19065 0.31955
protocols.relax.FastRelax: {0} CMD: min -223.992 13.4627 4.23581 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.992 13.4627 4.23581 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.527 13.4627 4.23581 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2495 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -181.804 13.4627 4.23581 0.55
protocols.relax.FastRelax: {0} CMD: min -198.843 13.5671 4.23461 0.55
protocols.relax.FastRelax: {0} MRP: 4 -198.843 -198.843 13.5671 4.23461
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.843 13.5671 4.23461 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.843 13.5671 4.23461 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_44.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70147.5 17.9952 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70147.5 17.9952 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7295.3 17.9952 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2893 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 222.343 17.9952 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 268.325 17.9952 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -236.998 17.281 3.75663 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.998 17.281 3.75663 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -121.368 17.281 3.75663 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2860 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -138.437 17.281 3.75663 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -132.399 17.281 3.75663 0.154
protocols.relax.FastRelax: {0} CMD: min -205.551 17.2393 4.99128 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.551 17.2393 4.99128 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.438 17.2393 4.99128 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2841 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -165.573 17.2393 4.99128 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.332 17.2393 4.99128 0.31955
protocols.relax.FastRelax: {0} CMD: min -176.653 17.383 4.94019 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.653 17.383 4.94019 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -136.15 17.383 4.94019 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2724 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -130.485 17.383 4.94019 0.55
protocols.relax.FastRelax: {0} CMD: min -160.909 17.0593 5.74163 0.55
protocols.relax.FastRelax: {0} MRP: 0 -160.909 -160.909 17.0593 5.74163
protocols.relax.FastRelax: {0} CMD: accept_to_best -160.909 17.0593 5.74163 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -160.909 17.0593 5.74163 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -160.909 17.0593 5.74163 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.053 17.0593 5.74163 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3115 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.973 17.0593 5.74163 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.707 17.0593 5.74163 0.02805
protocols.relax.FastRelax: {0} CMD: min -279.858 16.6774 5.68474 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.858 16.6774 5.68474 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.438 16.6774 5.68474 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2823 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -187.316 16.6774 5.68474 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.918 16.6774 5.68474 0.154
protocols.relax.FastRelax: {0} CMD: min -228.294 16.8796 5.55211 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.294 16.8796 5.55211 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.608 16.8796 5.55211 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2733 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -190.732 16.8796 5.55211 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.816 16.8796 5.55211 0.31955
protocols.relax.FastRelax: {0} CMD: min -194.283 16.9792 5.50372 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.283 16.9792 5.50372 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -154.797 16.9792 5.50372 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2556 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -154.815 16.9792 5.50372 0.55
protocols.relax.FastRelax: {0} CMD: min -176.414 17.2279 4.9327 0.55
protocols.relax.FastRelax: {0} MRP: 1 -176.414 -176.414 17.2279 4.9327
protocols.relax.FastRelax: {0} CMD: accept_to_best -176.414 17.2279 4.9327 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -176.414 17.2279 4.9327 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.414 17.2279 4.9327 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.429 17.2279 4.9327 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2880 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.818 17.2279 4.9327 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.809 17.2279 4.9327 0.02805
protocols.relax.FastRelax: {0} CMD: min -294.911 16.831 4.92804 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.911 16.831 4.92804 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.207 16.831 4.92804 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2773 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.381 16.831 4.92804 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.218 16.831 4.92804 0.154
protocols.relax.FastRelax: {0} CMD: min -237.214 16.9406 5.13258 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.214 16.9406 5.13258 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.841 16.9406 5.13258 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2621 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.909 16.9406 5.13258 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.907 16.9406 5.13258 0.31955
protocols.relax.FastRelax: {0} CMD: min -211.442 16.9953 5.20428 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.442 16.9953 5.20428 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.687 16.9953 5.20428 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2388 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -174.887 16.9953 5.20428 0.55
protocols.relax.FastRelax: {0} CMD: min -190.442 17.1297 5.11068 0.55
protocols.relax.FastRelax: {0} MRP: 2 -190.442 -190.442 17.1297 5.11068
protocols.relax.FastRelax: {0} CMD: accept_to_best -190.442 17.1297 5.11068 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -190.442 17.1297 5.11068 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.442 17.1297 5.11068 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.41 17.1297 5.11068 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2969 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.354 17.1297 5.11068 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.376 17.1297 5.11068 0.02805
protocols.relax.FastRelax: {0} CMD: min -308.966 16.7029 5.17588 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.966 16.7029 5.17588 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.141 16.7029 5.17588 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2792 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.43 16.7029 5.17588 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.378 16.7029 5.17588 0.154
protocols.relax.FastRelax: {0} CMD: min -251.226 16.93 5.04307 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.226 16.93 5.04307 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.65 16.93 5.04307 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2668 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.152 16.93 5.04307 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.086 16.93 5.04307 0.31955
protocols.relax.FastRelax: {0} CMD: min -216.144 17.0107 5.04953 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.144 17.0107 5.04953 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.743 17.0107 5.04953 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2598 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -170.858 17.0107 5.04953 0.55
protocols.relax.FastRelax: {0} CMD: min -194.293 17.2376 4.94055 0.55
protocols.relax.FastRelax: {0} MRP: 3 -194.293 -194.293 17.2376 4.94055
protocols.relax.FastRelax: {0} CMD: accept_to_best -194.293 17.2376 4.94055 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -194.293 17.2376 4.94055 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.293 17.2376 4.94055 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.523 17.2376 4.94055 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3065 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -266.651 17.2376 4.94055 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.251 17.2376 4.94055 0.02805
protocols.relax.FastRelax: {0} CMD: min -313.318 16.8439 4.92377 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -313.318 16.8439 4.92377 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.576 16.8439 4.92377 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2886 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -211.474 16.8439 4.92377 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.36 16.8439 4.92377 0.154
protocols.relax.FastRelax: {0} CMD: min -244.06 16.8714 5.11813 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.06 16.8714 5.11813 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.414 16.8714 5.11813 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2709 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -198.601 16.8714 5.11813 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.886 16.8714 5.11813 0.31955
protocols.relax.FastRelax: {0} CMD: min -216.829 17.0881 5.03199 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.829 17.0881 5.03199 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.391 17.0881 5.03199 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2527 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -175.557 17.0881 5.03199 0.55
protocols.relax.FastRelax: {0} CMD: min -197.578 17.2059 4.99029 0.55
protocols.relax.FastRelax: {0} MRP: 4 -197.578 -197.578 17.2059 4.99029
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.578 17.2059 4.99029 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.578 17.2059 4.99029 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_13.pdb
protocols.relax.FastRelax: {0} CMD: repeat 69421.8 15.3653 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69421.8 15.3653 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6745.87 15.3653 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2691 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -112.863 15.3653 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -93.9666 15.3653 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -298.475 15.6761 3.04865 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -298.475 15.6761 3.04865 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -137.293 15.6761 3.04865 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2844 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -159.178 15.6761 3.04865 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.204 15.6761 3.04865 0.154
protocols.relax.FastRelax: {0} CMD: min -248.316 15.7923 3.03554 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.316 15.7923 3.03554 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.588 15.7923 3.03554 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2920 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -201.82 15.7923 3.03554 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.068 15.7923 3.03554 0.31955
protocols.relax.FastRelax: {0} CMD: min -209.413 15.867 3.06166 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.413 15.867 3.06166 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.139 15.867 3.06166 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2599 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -160.846 15.867 3.06166 0.55
protocols.relax.FastRelax: {0} CMD: min -198.136 16.1878 3.5967 0.55
protocols.relax.FastRelax: {0} MRP: 0 -198.136 -198.136 16.1878 3.5967
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.136 16.1878 3.5967 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.136 16.1878 3.5967 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.136 16.1878 3.5967 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.054 16.1878 3.5967 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3334 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -273.563 16.1878 3.5967 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.678 16.1878 3.5967 0.02805
protocols.relax.FastRelax: {0} CMD: min -345.863 15.7766 3.61174 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -345.863 15.7766 3.61174 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.151 15.7766 3.61174 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3222 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.173 15.7766 3.61174 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.985 15.7766 3.61174 0.154
protocols.relax.FastRelax: {0} CMD: min -268.228 15.8607 3.4693 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.228 15.8607 3.4693 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.942 15.8607 3.4693 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2887 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.62 15.8607 3.4693 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.547 15.8607 3.4693 0.31955
protocols.relax.FastRelax: {0} CMD: min -231.222 16.0329 3.56577 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.222 16.0329 3.56577 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.009 16.0329 3.56577 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2673 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -187.013 16.0329 3.56577 0.55
protocols.relax.FastRelax: {0} CMD: min -214.157 16.3608 3.60248 0.55
protocols.relax.FastRelax: {0} MRP: 1 -214.157 -214.157 16.3608 3.60248
protocols.relax.FastRelax: {0} CMD: accept_to_best -214.157 16.3608 3.60248 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -214.157 16.3608 3.60248 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.157 16.3608 3.60248 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.37 16.3608 3.60248 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3363 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -288.41 16.3608 3.60248 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.991 16.3608 3.60248 0.02805
protocols.relax.FastRelax: {0} CMD: min -348.714 15.835 3.65179 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -348.714 15.835 3.65179 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.428 15.835 3.65179 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3408 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.06 15.835 3.65179 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.953 15.835 3.65179 0.154
protocols.relax.FastRelax: {0} CMD: min -278.307 15.9782 3.48578 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.307 15.9782 3.48578 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.153 15.9782 3.48578 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2960 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.664 15.9782 3.48578 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.991 15.9782 3.48578 0.31955
protocols.relax.FastRelax: {0} CMD: min -239.071 16.0106 3.4445 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.071 16.0106 3.4445 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.41 16.0106 3.4445 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2873 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.519 16.0106 3.4445 0.55
protocols.relax.FastRelax: {0} CMD: min -219.769 15.6343 3.50334 0.55
protocols.relax.FastRelax: {0} MRP: 2 -219.769 -219.769 15.6343 3.50334
protocols.relax.FastRelax: {0} CMD: accept_to_best -219.769 15.6343 3.50334 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -219.769 15.6343 3.50334 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.769 15.6343 3.50334 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.245 15.6343 3.50334 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3318 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -296.436 15.6343 3.50334 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.153 15.6343 3.50334 0.02805
protocols.relax.FastRelax: {0} CMD: min -350.416 15.3463 3.80489 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -350.416 15.3463 3.80489 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.001 15.3463 3.80489 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3282 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.545 15.3463 3.80489 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.699 15.3463 3.80489 0.154
protocols.relax.FastRelax: {0} CMD: min -281.338 15.3374 3.60069 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.338 15.3374 3.60069 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.201 15.3374 3.60069 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2976 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -234.767 15.3374 3.60069 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.954 15.3374 3.60069 0.31955
protocols.relax.FastRelax: {0} CMD: min -245.964 15.4725 3.64955 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.964 15.4725 3.64955 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.813 15.4725 3.64955 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2874 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -198.088 15.4725 3.64955 0.55
protocols.relax.FastRelax: {0} CMD: min -212.382 15.6152 3.65448 0.55
protocols.relax.FastRelax: {0} MRP: 3 -212.382 -219.769 15.6343 3.50334
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.382 15.6152 3.65448 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.382 15.6152 3.65448 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.382 15.6152 3.65448 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.879 15.6152 3.65448 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3384 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -294.744 15.6152 3.65448 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.838 15.6152 3.65448 0.02805
protocols.relax.FastRelax: {0} CMD: min -345.339 15.3379 3.78514 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -345.339 15.3379 3.78514 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.172 15.3379 3.78514 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3143 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -244.915 15.3379 3.78514 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.53 15.3379 3.78514 0.154
protocols.relax.FastRelax: {0} CMD: min -287.267 15.404 3.73365 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -287.267 15.404 3.73365 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.724 15.404 3.73365 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2942 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.974 15.404 3.73365 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.402 15.404 3.73365 0.31955
protocols.relax.FastRelax: {0} CMD: min -249.413 15.4843 3.69294 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.413 15.4843 3.69294 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.852 15.4843 3.69294 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2816 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.907 15.4843 3.69294 0.55
protocols.relax.FastRelax: {0} CMD: min -224.865 15.6702 3.58323 0.55
protocols.relax.FastRelax: {0} MRP: 4 -224.865 -224.865 15.6702 3.58323
protocols.relax.FastRelax: {0} CMD: accept_to_best -224.865 15.6702 3.58323 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -224.865 15.6702 3.58323 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_42.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71840.7 13.4266 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71840.7 13.4266 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6710.87 13.4266 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2799 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 125.355 13.4266 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 158.62 13.4266 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -256.769 14.0069 5.47487 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.769 14.0069 5.47487 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -93.8691 14.0069 5.47487 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2980 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -126.819 14.0069 5.47487 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -118.685 14.0069 5.47487 0.154
protocols.relax.FastRelax: {0} CMD: min -231.181 13.5935 5.76533 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.181 13.5935 5.76533 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.929 13.5935 5.76533 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2440 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.568 13.5935 5.76533 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.379 13.5935 5.76533 0.31955
protocols.relax.FastRelax: {0} CMD: min -204.634 13.7628 6.01317 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.634 13.7628 6.01317 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.17 13.7628 6.01317 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2349 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -163.142 13.7628 6.01317 0.55
protocols.relax.FastRelax: {0} CMD: min -208.351 13.8389 6.06984 0.55
protocols.relax.FastRelax: {0} MRP: 0 -208.351 -208.351 13.8389 6.06984
protocols.relax.FastRelax: {0} CMD: accept_to_best -208.351 13.8389 6.06984 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -208.351 13.8389 6.06984 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.351 13.8389 6.06984 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.932 13.8389 6.06984 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2460 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -284.752 13.8389 6.06984 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.799 13.8389 6.06984 0.02805
protocols.relax.FastRelax: {0} CMD: min -316.105 13.4002 6.39615 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -316.105 13.4002 6.39615 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.745 13.4002 6.39615 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2723 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.641 13.4002 6.39615 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.034 13.4002 6.39615 0.154
protocols.relax.FastRelax: {0} CMD: min -257.528 13.6138 6.23178 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.528 13.6138 6.23178 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.802 13.6138 6.23178 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2580 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.32 13.6138 6.23178 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.44 13.6138 6.23178 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.666 13.6962 6.14368 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.666 13.6962 6.14368 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.259 13.6962 6.14368 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2276 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.301 13.6962 6.14368 0.55
protocols.relax.FastRelax: {0} CMD: min -217.937 13.6121 6.09797 0.55
protocols.relax.FastRelax: {0} MRP: 1 -217.937 -217.937 13.6121 6.09797
protocols.relax.FastRelax: {0} CMD: accept_to_best -217.937 13.6121 6.09797 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -217.937 13.6121 6.09797 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.937 13.6121 6.09797 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.13 13.6121 6.09797 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2611 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -291.817 13.6121 6.09797 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.966 13.6121 6.09797 0.02805
protocols.relax.FastRelax: {0} CMD: min -330.058 13.3493 6.53053 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -330.058 13.3493 6.53053 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.275 13.3493 6.53053 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2654 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.308 13.3493 6.53053 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.851 13.3493 6.53053 0.154
protocols.relax.FastRelax: {0} CMD: min -273.121 13.47 6.12797 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.121 13.47 6.12797 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.612 13.47 6.12797 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2452 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.642 13.47 6.12797 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.377 13.47 6.12797 0.31955
protocols.relax.FastRelax: {0} CMD: min -238.662 13.5624 6.05324 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.662 13.5624 6.05324 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.891 13.5624 6.05324 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2363 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -194.811 13.5624 6.05324 0.55
protocols.relax.FastRelax: {0} CMD: min -226.41 13.6336 5.12962 0.55
protocols.relax.FastRelax: {0} MRP: 2 -226.41 -226.41 13.6336 5.12962
protocols.relax.FastRelax: {0} CMD: accept_to_best -226.41 13.6336 5.12962 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -226.41 13.6336 5.12962 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.41 13.6336 5.12962 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.973 13.6336 5.12962 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2502 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -298.252 13.6336 5.12962 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.413 13.6336 5.12962 0.02805
protocols.relax.FastRelax: {0} CMD: min -345.616 13.4467 5.92873 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -345.616 13.4467 5.92873 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.165 13.4467 5.92873 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2701 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -234.888 13.4467 5.92873 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.616 13.4467 5.92873 0.154
protocols.relax.FastRelax: {0} CMD: min -285.257 13.558 5.82926 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -285.257 13.558 5.82926 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.228 13.558 5.82926 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2490 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.643 13.558 5.82926 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.409 13.558 5.82926 0.31955
protocols.relax.FastRelax: {0} CMD: min -249.108 13.5468 5.62386 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.108 13.5468 5.62386 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.235 13.5468 5.62386 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2297 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.688 13.5468 5.62386 0.55
protocols.relax.FastRelax: {0} CMD: min -232.734 13.6986 5.48224 0.55
protocols.relax.FastRelax: {0} MRP: 3 -232.734 -232.734 13.6986 5.48224
protocols.relax.FastRelax: {0} CMD: accept_to_best -232.734 13.6986 5.48224 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -232.734 13.6986 5.48224 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.734 13.6986 5.48224 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.962 13.6986 5.48224 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2681 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -305.127 13.6986 5.48224 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.808 13.6986 5.48224 0.02805
protocols.relax.FastRelax: {0} CMD: min -324.37 13.609 5.69577 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -324.37 13.609 5.69577 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.004 13.609 5.69577 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2734 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -262.101 13.609 5.69577 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.542 13.609 5.69577 0.154
protocols.relax.FastRelax: {0} CMD: min -279.177 13.6797 5.64777 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.177 13.6797 5.64777 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.941 13.6797 5.64777 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2611 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -237.505 13.6797 5.64777 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.705 13.6797 5.64777 0.31955
protocols.relax.FastRelax: {0} CMD: min -246.306 13.7212 5.57732 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.306 13.7212 5.57732 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.684 13.7212 5.57732 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2526 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.335 13.7212 5.57732 0.55
protocols.relax.FastRelax: {0} CMD: min -231.614 13.767 5.51063 0.55
protocols.relax.FastRelax: {0} MRP: 4 -231.614 -232.734 13.6986 5.48224
protocols.relax.FastRelax: {0} CMD: accept_to_best -231.614 13.767 5.51063 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -231.614 13.767 5.51063 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_17.pdb
protocols.relax.FastRelax: {0} CMD: repeat 66089.1 14.2547 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 66089.1 14.2547 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7281.56 14.2547 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3089 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 160.207 14.2547 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 184.639 14.2547 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -191.293 14.2801 7.96765 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.293 14.2801 7.96765 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -100.839 14.2801 7.96765 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 1900 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -126.572 14.2801 7.96765 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -121.812 14.2801 7.96765 0.154
protocols.relax.FastRelax: {0} CMD: min -160.793 14.1424 7.0282 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -160.793 14.1424 7.0282 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -121.771 14.1424 7.0282 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 1845 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -122.879 14.1424 7.0282 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -119.99 14.1424 7.0282 0.31955
protocols.relax.FastRelax: {0} CMD: min -152.367 14.215 5.41257 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -152.367 14.215 5.41257 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.928 14.215 5.41257 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 1818 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -121.548 14.215 5.41257 0.55
protocols.relax.FastRelax: {0} CMD: min -168.207 13.8972 4.19721 0.55
protocols.relax.FastRelax: {0} MRP: 0 -168.207 -168.207 13.8972 4.19721
protocols.relax.FastRelax: {0} CMD: accept_to_best -168.207 13.8972 4.19721 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -168.207 13.8972 4.19721 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -168.207 13.8972 4.19721 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.926 13.8972 4.19721 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2020 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.741 13.8972 4.19721 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.83 13.8972 4.19721 0.02805
protocols.relax.FastRelax: {0} CMD: min -266.471 13.9439 4.344 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.471 13.9439 4.344 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.826 13.9439 4.344 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2079 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -194.983 13.9439 4.344 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.626 13.9439 4.344 0.154
protocols.relax.FastRelax: {0} CMD: min -230.229 14.0716 4.41987 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.229 14.0716 4.41987 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.843 14.0716 4.41987 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2305 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.354 14.0716 4.41987 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.791 14.0716 4.41987 0.31955
protocols.relax.FastRelax: {0} CMD: min -200.472 14.0756 4.34154 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.472 14.0756 4.34154 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.01 14.0756 4.34154 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2107 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -165.404 14.0756 4.34154 0.55
protocols.relax.FastRelax: {0} CMD: min -197.988 13.7329 4.57761 0.55
protocols.relax.FastRelax: {0} MRP: 1 -197.988 -197.988 13.7329 4.57761
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.988 13.7329 4.57761 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.988 13.7329 4.57761 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.988 13.7329 4.57761 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.733 13.7329 4.57761 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2475 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -266.257 13.7329 4.57761 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.363 13.7329 4.57761 0.02805
protocols.relax.FastRelax: {0} CMD: min -308.773 13.6736 4.39599 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.773 13.6736 4.39599 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.398 13.6736 4.39599 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3078 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.386 13.6736 4.39599 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.863 13.6736 4.39599 0.154
protocols.relax.FastRelax: {0} CMD: min -252.501 13.6681 4.63485 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.501 13.6681 4.63485 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.967 13.6681 4.63485 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2591 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.708 13.6681 4.63485 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.765 13.6681 4.63485 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.122 13.6979 4.66159 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.122 13.6979 4.66159 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.259 13.6979 4.66159 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2433 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -180.463 13.6979 4.66159 0.55
protocols.relax.FastRelax: {0} CMD: min -206.507 13.8193 4.5917 0.55
protocols.relax.FastRelax: {0} MRP: 2 -206.507 -206.507 13.8193 4.5917
protocols.relax.FastRelax: {0} CMD: accept_to_best -206.507 13.8193 4.5917 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -206.507 13.8193 4.5917 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.507 13.8193 4.5917 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.808 13.8193 4.5917 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2588 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -272.064 13.8193 4.5917 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.042 13.8193 4.5917 0.02805
protocols.relax.FastRelax: {0} CMD: min -310.618 13.6553 4.37471 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.618 13.6553 4.37471 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.498 13.6553 4.37471 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2969 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.454 13.6553 4.37471 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.956 13.6553 4.37471 0.154
protocols.relax.FastRelax: {0} CMD: min -255.319 13.579 4.56614 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.319 13.579 4.56614 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.171 13.579 4.56614 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2791 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.213 13.579 4.56614 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.034 13.579 4.56614 0.31955
protocols.relax.FastRelax: {0} CMD: min -225.251 13.5964 4.51974 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.251 13.5964 4.51974 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.788 13.5964 4.51974 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2486 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -186.7 13.5964 4.51974 0.55
protocols.relax.FastRelax: {0} CMD: min -207.005 13.6469 4.62267 0.55
protocols.relax.FastRelax: {0} MRP: 3 -207.005 -207.005 13.6469 4.62267
protocols.relax.FastRelax: {0} CMD: accept_to_best -207.005 13.6469 4.62267 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -207.005 13.6469 4.62267 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.005 13.6469 4.62267 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.595 13.6469 4.62267 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2575 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -271.456 13.6469 4.62267 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.915 13.6469 4.62267 0.02805
protocols.relax.FastRelax: {0} CMD: min -284.068 13.7957 4.4149 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.068 13.7957 4.4149 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.11 13.7957 4.4149 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2950 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -244.552 13.7957 4.4149 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.058 13.7957 4.4149 0.154
protocols.relax.FastRelax: {0} CMD: min -257.51 13.6949 4.3993 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.51 13.6949 4.3993 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.745 13.6949 4.3993 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2740 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -226.059 13.6949 4.3993 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.585 13.6949 4.3993 0.31955
protocols.relax.FastRelax: {0} CMD: min -230.476 13.6609 4.50281 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.476 13.6609 4.50281 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.809 13.6609 4.50281 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2504 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -195.843 13.6609 4.50281 0.55
protocols.relax.FastRelax: {0} CMD: min -207.463 13.6078 4.68178 0.55
protocols.relax.FastRelax: {0} MRP: 4 -207.463 -207.463 13.6078 4.68178
protocols.relax.FastRelax: {0} CMD: accept_to_best -207.463 13.6078 4.68178 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -207.463 13.6078 4.68178 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_27.pdb
protocols.relax.FastRelax: {0} CMD: repeat 68712.2 15.0421 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68712.2 15.0421 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7253.26 15.0421 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3051 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 138.273 15.0421 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 168.656 15.0421 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -281.058 14.8956 2.107 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.058 14.8956 2.107 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -135.839 14.8956 2.107 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2882 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -167.873 14.8956 2.107 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.668 14.8956 2.107 0.154
protocols.relax.FastRelax: {0} CMD: min -249.729 14.7 2.59295 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.729 14.7 2.59295 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.601 14.7 2.59295 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3053 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.435 14.7 2.59295 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.004 14.7 2.59295 0.31955
protocols.relax.FastRelax: {0} CMD: min -215.155 14.7263 2.50867 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.155 14.7263 2.50867 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.652 14.7263 2.50867 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2810 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -171.152 14.7263 2.50867 0.55
protocols.relax.FastRelax: {0} CMD: min -216.097 14.8055 3.3308 0.55
protocols.relax.FastRelax: {0} MRP: 0 -216.097 -216.097 14.8055 3.3308
protocols.relax.FastRelax: {0} CMD: accept_to_best -216.097 14.8055 3.3308 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -216.097 14.8055 3.3308 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.097 14.8055 3.3308 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.445 14.8055 3.3308 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3146 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -294.262 14.8055 3.3308 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.686 14.8055 3.3308 0.02805
protocols.relax.FastRelax: {0} CMD: min -349.558 14.5542 3.84442 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -349.558 14.5542 3.84442 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.012 14.5542 3.84442 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3258 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.064 14.5542 3.84442 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.144 14.5542 3.84442 0.154
protocols.relax.FastRelax: {0} CMD: min -286.819 14.6651 3.78987 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -286.819 14.6651 3.78987 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.971 14.6651 3.78987 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2876 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.2 14.6651 3.78987 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.931 14.6651 3.78987 0.31955
protocols.relax.FastRelax: {0} CMD: min -253.401 14.7303 3.74428 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.401 14.7303 3.74428 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.96 14.7303 3.74428 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2718 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.007 14.7303 3.74428 0.55
protocols.relax.FastRelax: {0} CMD: min -232.778 14.8312 3.78632 0.55
protocols.relax.FastRelax: {0} MRP: 1 -232.778 -232.778 14.8312 3.78632
protocols.relax.FastRelax: {0} CMD: accept_to_best -232.778 14.8312 3.78632 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -232.778 14.8312 3.78632 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.778 14.8312 3.78632 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.918 14.8312 3.78632 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3094 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -305.871 14.8312 3.78632 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.219 14.8312 3.78632 0.02805
protocols.relax.FastRelax: {0} CMD: min -360.902 14.6381 3.98127 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -360.902 14.6381 3.98127 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.81 14.6381 3.98127 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3325 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.061 14.6381 3.98127 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.29 14.6381 3.98127 0.154
protocols.relax.FastRelax: {0} CMD: min -289.175 14.5996 3.82627 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.175 14.5996 3.82627 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.446 14.5996 3.82627 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3112 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -245.572 14.5996 3.82627 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.123 14.5996 3.82627 0.31955
protocols.relax.FastRelax: {0} CMD: min -253.626 14.6168 3.84866 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.626 14.6168 3.84866 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.722 14.6168 3.84866 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2853 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -210.092 14.6168 3.84866 0.55
protocols.relax.FastRelax: {0} CMD: min -231.342 14.76 3.91739 0.55
protocols.relax.FastRelax: {0} MRP: 2 -231.342 -232.778 14.8312 3.78632
protocols.relax.FastRelax: {0} CMD: accept_to_best -231.342 14.76 3.91739 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -231.342 14.76 3.91739 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.342 14.76 3.91739 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.17 14.76 3.91739 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3268 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -307.441 14.76 3.91739 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -304.402 14.76 3.91739 0.02805
protocols.relax.FastRelax: {0} CMD: min -360.552 14.5103 3.80904 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -360.552 14.5103 3.80904 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.348 14.5103 3.80904 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3424 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -240.388 14.5103 3.80904 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.203 14.5103 3.80904 0.154
protocols.relax.FastRelax: {0} CMD: min -298.059 14.6061 3.83813 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -298.059 14.6061 3.83813 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.922 14.6061 3.83813 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3179 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -252.108 14.6061 3.83813 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.489 14.6061 3.83813 0.31955
protocols.relax.FastRelax: {0} CMD: min -258.293 14.6413 3.7879 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.293 14.6413 3.7879 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.013 14.6413 3.7879 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3076 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.622 14.6413 3.7879 0.55
protocols.relax.FastRelax: {0} CMD: min -238.73 14.8386 3.73214 0.55
protocols.relax.FastRelax: {0} MRP: 3 -238.73 -238.73 14.8386 3.73214
protocols.relax.FastRelax: {0} CMD: accept_to_best -238.73 14.8386 3.73214 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -238.73 14.8386 3.73214 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.73 14.8386 3.73214 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.941 14.8386 3.73214 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3353 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -315.456 14.8386 3.73214 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -312.249 14.8386 3.73214 0.02805
protocols.relax.FastRelax: {0} CMD: min -361.684 14.547 3.8677 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -361.684 14.547 3.8677 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.189 14.547 3.8677 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3555 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.707 14.547 3.8677 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.719 14.547 3.8677 0.154
protocols.relax.FastRelax: {0} CMD: min -297.433 14.5697 3.86018 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.433 14.5697 3.86018 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.617 14.5697 3.86018 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3130 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -251.346 14.5697 3.86018 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.697 14.5697 3.86018 0.31955
protocols.relax.FastRelax: {0} CMD: min -264.459 14.6667 3.8091 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.459 14.6667 3.8091 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.728 14.6667 3.8091 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3072 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.314 14.6667 3.8091 0.55
protocols.relax.FastRelax: {0} CMD: min -243.126 14.9698 3.46607 0.55
protocols.relax.FastRelax: {0} MRP: 4 -243.126 -243.126 14.9698 3.46607
protocols.relax.FastRelax: {0} CMD: accept_to_best -243.126 14.9698 3.46607 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -243.126 14.9698 3.46607 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_10.pdb
protocols.relax.FastRelax: {0} CMD: repeat 73924.5 15.9907 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73924.5 15.9907 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7045.03 15.9907 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3127 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -73.0394 15.9907 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -39.8338 15.9907 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -181.853 15.938 1.68431 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -181.853 15.938 1.68431 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -29.6029 15.938 1.68431 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2685 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -59.3378 15.938 1.68431 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -50.9655 15.938 1.68431 0.154
protocols.relax.FastRelax: {0} CMD: min -206.458 15.9304 2.44468 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.458 15.9304 2.44468 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.359 15.9304 2.44468 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2484 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -162.572 15.9304 2.44468 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.928 15.9304 2.44468 0.31955
protocols.relax.FastRelax: {0} CMD: min -191.086 15.9612 2.87551 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.086 15.9612 2.87551 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.402 15.9612 2.87551 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2470 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -148.835 15.9612 2.87551 0.55
protocols.relax.FastRelax: {0} CMD: min -178.797 16.0375 2.8292 0.55
protocols.relax.FastRelax: {0} MRP: 0 -178.797 -178.797 16.0375 2.8292
protocols.relax.FastRelax: {0} CMD: accept_to_best -178.797 16.0375 2.8292 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -178.797 16.0375 2.8292 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -178.797 16.0375 2.8292 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.63 16.0375 2.8292 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2928 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -263.013 16.0375 2.8292 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.497 16.0375 2.8292 0.02805
protocols.relax.FastRelax: {0} CMD: min -317.236 16.0385 2.74345 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.236 16.0385 2.74345 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.376 16.0385 2.74345 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2888 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.146 16.0385 2.74345 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.555 16.0385 2.74345 0.154
protocols.relax.FastRelax: {0} CMD: min -250.448 16.1157 2.84948 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.448 16.1157 2.84948 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.015 16.1157 2.84948 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2609 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -195.325 16.1157 2.84948 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.614 16.1157 2.84948 0.31955
protocols.relax.FastRelax: {0} CMD: min -208.916 16.0991 2.87936 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.916 16.0991 2.87936 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.065 16.0991 2.87936 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2467 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -164.391 16.0991 2.87936 0.55
protocols.relax.FastRelax: {0} CMD: min -198.902 16.1639 3.00207 0.55
protocols.relax.FastRelax: {0} MRP: 1 -198.902 -198.902 16.1639 3.00207
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.902 16.1639 3.00207 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.902 16.1639 3.00207 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.902 16.1639 3.00207 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.319 16.1639 3.00207 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2897 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -283.265 16.1639 3.00207 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.001 16.1639 3.00207 0.02805
protocols.relax.FastRelax: {0} CMD: min -339.559 16.0684 3.07484 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -339.559 16.0684 3.07484 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.576 16.0684 3.07484 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2992 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.48 16.0684 3.07484 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.579 16.0684 3.07484 0.154
protocols.relax.FastRelax: {0} CMD: min -261.132 16.1411 3.01936 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.132 16.1411 3.01936 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.832 16.1411 3.01936 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2780 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.125 16.1411 3.01936 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.252 16.1411 3.01936 0.31955
protocols.relax.FastRelax: {0} CMD: min -224.649 16.1615 3.05488 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.649 16.1615 3.05488 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.91 16.1615 3.05488 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2489 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -180.189 16.1615 3.05488 0.55
protocols.relax.FastRelax: {0} CMD: min -209.767 16.3439 2.96656 0.55
protocols.relax.FastRelax: {0} MRP: 2 -209.767 -209.767 16.3439 2.96656
protocols.relax.FastRelax: {0} CMD: accept_to_best -209.767 16.3439 2.96656 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -209.767 16.3439 2.96656 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.767 16.3439 2.96656 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.452 16.3439 2.96656 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2890 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -287.597 16.3439 2.96656 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.397 16.3439 2.96656 0.02805
protocols.relax.FastRelax: {0} CMD: min -340.24 16.1642 3.08383 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -340.24 16.1642 3.08383 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.385 16.1642 3.08383 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2964 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.88 16.1642 3.08383 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.309 16.1642 3.08383 0.154
protocols.relax.FastRelax: {0} CMD: min -274.791 16.2981 3.04821 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.791 16.2981 3.04821 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.066 16.2981 3.04821 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2867 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.277 16.2981 3.04821 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.406 16.2981 3.04821 0.31955
protocols.relax.FastRelax: {0} CMD: min -238.07 16.3115 2.99102 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.07 16.3115 2.99102 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.926 16.3115 2.99102 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2408 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -194.222 16.3115 2.99102 0.55
protocols.relax.FastRelax: {0} CMD: min -211.108 16.2556 2.92141 0.55
protocols.relax.FastRelax: {0} MRP: 3 -211.108 -211.108 16.2556 2.92141
protocols.relax.FastRelax: {0} CMD: accept_to_best -211.108 16.2556 2.92141 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -211.108 16.2556 2.92141 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.108 16.2556 2.92141 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.357 16.2556 2.92141 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2809 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -289.366 16.2556 2.92141 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.029 16.2556 2.92141 0.02805
protocols.relax.FastRelax: {0} CMD: min -332.18 16.1262 3.04478 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -332.18 16.1262 3.04478 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.252 16.1262 3.04478 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2899 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.731 16.1262 3.04478 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.792 16.1262 3.04478 0.154
protocols.relax.FastRelax: {0} CMD: min -277.218 16.1755 3.27845 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.218 16.1755 3.27845 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.061 16.1755 3.27845 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2800 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -234.456 16.1755 3.27845 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.103 16.1755 3.27845 0.31955
protocols.relax.FastRelax: {0} CMD: min -238.885 16.1858 3.22448 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.885 16.1858 3.22448 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.792 16.1858 3.22448 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2645 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.027 16.1858 3.22448 0.55
protocols.relax.FastRelax: {0} CMD: min -212.353 16.0946 3.23142 0.55
protocols.relax.FastRelax: {0} MRP: 4 -212.353 -212.353 16.0946 3.23142
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.353 16.0946 3.23142 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.353 16.0946 3.23142 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_7.pdb
protocols.relax.FastRelax: {0} CMD: repeat 75426.8 10.5855 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75426.8 10.5855 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7084.35 10.5855 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2548 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -53.9532 10.5855 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -16.0649 10.5855 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -282.46 11.097 4.04202 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.46 11.097 4.04202 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.114 11.097 4.04202 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2290 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -174.648 11.097 4.04202 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.416 11.097 4.04202 0.154
protocols.relax.FastRelax: {0} CMD: min -226.063 10.8546 3.76201 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.063 10.8546 3.76201 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.348 10.8546 3.76201 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2082 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -184.668 10.8546 3.76201 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.709 10.8546 3.76201 0.31955
protocols.relax.FastRelax: {0} CMD: min -184.274 10.8666 3.78044 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -184.274 10.8666 3.78044 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -132.764 10.8666 3.78044 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2034 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -133.603 10.8666 3.78044 0.55
protocols.relax.FastRelax: {0} CMD: min -196.021 8.8852 4.96021 0.55
protocols.relax.FastRelax: {0} MRP: 0 -196.021 -196.021 8.8852 4.96021
protocols.relax.FastRelax: {0} CMD: accept_to_best -196.021 8.8852 4.96021 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -196.021 8.8852 4.96021 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.021 8.8852 4.96021 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.656 8.8852 4.96021 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2322 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -270.903 8.8852 4.96021 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.045 8.8852 4.96021 0.02805
protocols.relax.FastRelax: {0} CMD: min -313.551 8.71815 4.91277 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -313.551 8.71815 4.91277 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.047 8.71815 4.91277 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2391 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.881 8.71815 4.91277 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.08 8.71815 4.91277 0.154
protocols.relax.FastRelax: {0} CMD: min -258.833 8.63527 5.2789 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.833 8.63527 5.2789 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.421 8.63527 5.2789 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2191 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.779 8.63527 5.2789 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.716 8.63527 5.2789 0.31955
protocols.relax.FastRelax: {0} CMD: min -220.365 8.6209 5.33214 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.365 8.6209 5.33214 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.001 8.6209 5.33214 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2174 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -170.897 8.6209 5.33214 0.55
protocols.relax.FastRelax: {0} CMD: min -208.268 8.42289 6.22755 0.55
protocols.relax.FastRelax: {0} MRP: 1 -208.268 -208.268 8.42289 6.22755
protocols.relax.FastRelax: {0} CMD: accept_to_best -208.268 8.42289 6.22755 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -208.268 8.42289 6.22755 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.268 8.42289 6.22755 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.248 8.42289 6.22755 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2320 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -280.487 8.42289 6.22755 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.227 8.42289 6.22755 0.02805
protocols.relax.FastRelax: {0} CMD: min -322.606 8.25854 5.95543 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -322.606 8.25854 5.95543 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.418 8.25854 5.95543 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2596 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -181.84 8.25854 5.95543 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.191 8.25854 5.95543 0.154
protocols.relax.FastRelax: {0} CMD: min -259.98 8.2874 6.62734 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.98 8.2874 6.62734 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.054 8.2874 6.62734 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2326 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.497 8.2874 6.62734 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.519 8.2874 6.62734 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.723 8.38293 6.80975 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.723 8.38293 6.80975 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.277 8.38293 6.80975 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2222 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.547 8.38293 6.80975 0.55
protocols.relax.FastRelax: {0} CMD: min -211.633 8.16745 7.30364 0.55
protocols.relax.FastRelax: {0} MRP: 2 -211.633 -211.633 8.16745 7.30364
protocols.relax.FastRelax: {0} CMD: accept_to_best -211.633 8.16745 7.30364 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -211.633 8.16745 7.30364 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.633 8.16745 7.30364 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.477 8.16745 7.30364 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2193 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -281.908 8.16745 7.30364 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.328 8.16745 7.30364 0.02805
protocols.relax.FastRelax: {0} CMD: min -329.369 7.94915 6.84744 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.369 7.94915 6.84744 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.591 7.94915 6.84744 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2507 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.521 7.94915 6.84744 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.759 7.94915 6.84744 0.154
protocols.relax.FastRelax: {0} CMD: min -263.994 8.18562 6.76021 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.994 8.18562 6.76021 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.912 8.18562 6.76021 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2201 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.288 8.18562 6.76021 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.227 8.18562 6.76021 0.31955
protocols.relax.FastRelax: {0} CMD: min -233.467 8.25558 6.90629 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.467 8.25558 6.90629 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.303 8.25558 6.90629 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 1971 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -194.382 8.25558 6.90629 0.55
protocols.relax.FastRelax: {0} CMD: min -215.114 8.52401 6.57814 0.55
protocols.relax.FastRelax: {0} MRP: 3 -215.114 -215.114 8.52401 6.57814
protocols.relax.FastRelax: {0} CMD: accept_to_best -215.114 8.52401 6.57814 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -215.114 8.52401 6.57814 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.114 8.52401 6.57814 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.699 8.52401 6.57814 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2210 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -283.992 8.52401 6.57814 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.62 8.52401 6.57814 0.02805
protocols.relax.FastRelax: {0} CMD: min -334.688 8.34524 6.11139 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -334.688 8.34524 6.11139 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.526 8.34524 6.11139 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2439 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.144 8.34524 6.11139 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.331 8.34524 6.11139 0.154
protocols.relax.FastRelax: {0} CMD: min -274.828 8.62587 6.28019 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.828 8.62587 6.28019 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.445 8.62587 6.28019 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2161 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -231.32 8.62587 6.28019 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.936 8.62587 6.28019 0.31955
protocols.relax.FastRelax: {0} CMD: min -240.276 8.70572 6.4922 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.276 8.70572 6.4922 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.793 8.70572 6.4922 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 1977 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.723 8.70572 6.4922 0.55
protocols.relax.FastRelax: {0} CMD: min -217.331 8.71157 6.50638 0.55
protocols.relax.FastRelax: {0} MRP: 4 -217.331 -217.331 8.71157 6.50638
protocols.relax.FastRelax: {0} CMD: accept_to_best -217.331 8.71157 6.50638 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -217.331 8.71157 6.50638 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_32.pdb
protocols.relax.FastRelax: {0} CMD: repeat 67037.7 14.1885 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 67037.7 14.1885 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6711.76 14.1885 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2114 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -110.793 14.1885 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -88.6694 14.1885 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -305.903 14.2734 4.39239 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -305.903 14.2734 4.39239 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.417 14.2734 4.39239 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2454 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.791 14.2734 4.39239 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.793 14.2734 4.39239 0.154
protocols.relax.FastRelax: {0} CMD: min -252.393 14.2969 4.45255 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.393 14.2969 4.45255 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.987 14.2969 4.45255 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2326 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.207 14.2969 4.45255 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.8 14.2969 4.45255 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.303 14.3685 4.63274 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.303 14.3685 4.63274 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.813 14.3685 4.63274 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2187 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -181.772 14.3685 4.63274 0.55
protocols.relax.FastRelax: {0} CMD: min -243.609 14.127 5.33097 0.55
protocols.relax.FastRelax: {0} MRP: 0 -243.609 -243.609 14.127 5.33097
protocols.relax.FastRelax: {0} CMD: accept_to_best -243.609 14.127 5.33097 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -243.609 14.127 5.33097 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.609 14.127 5.33097 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.761 14.127 5.33097 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2867 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -315.988 14.127 5.33097 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -313.124 14.127 5.33097 0.02805
protocols.relax.FastRelax: {0} CMD: min -368.894 14.1668 5.52214 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -368.894 14.1668 5.52214 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.519 14.1668 5.52214 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3533 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -262.227 14.1668 5.52214 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.87 14.1668 5.52214 0.154
protocols.relax.FastRelax: {0} CMD: min -307.736 14.2507 5.22913 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.736 14.2507 5.22913 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.925 14.2507 5.22913 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3163 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.33 14.2507 5.22913 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.157 14.2507 5.22913 0.31955
protocols.relax.FastRelax: {0} CMD: min -273.139 14.2071 5.11787 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.139 14.2071 5.11787 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.966 14.2071 5.11787 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2719 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.134 14.2071 5.11787 0.55
protocols.relax.FastRelax: {0} CMD: min -258.132 14.3126 5.12923 0.55
protocols.relax.FastRelax: {0} MRP: 1 -258.132 -258.132 14.3126 5.12923
protocols.relax.FastRelax: {0} CMD: accept_to_best -258.132 14.3126 5.12923 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -258.132 14.3126 5.12923 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.132 14.3126 5.12923 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -320.766 14.3126 5.12923 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3338 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -330.853 14.3126 5.12923 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -327.786 14.3126 5.12923 0.02805
protocols.relax.FastRelax: {0} CMD: min -379.363 14.29 5.31101 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -379.363 14.29 5.31101 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.132 14.29 5.31101 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3466 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -274.812 14.29 5.31101 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.973 14.29 5.31101 0.154
protocols.relax.FastRelax: {0} CMD: min -319.183 14.3289 5.29154 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.183 14.3289 5.29154 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.998 14.3289 5.29154 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3100 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -277.218 14.3289 5.29154 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.952 14.3289 5.29154 0.31955
protocols.relax.FastRelax: {0} CMD: min -283.625 14.2843 5.1255 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -283.625 14.2843 5.1255 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.656 14.2843 5.1255 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2690 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -241.153 14.2843 5.1255 0.55
protocols.relax.FastRelax: {0} CMD: min -265.386 14.3578 5.18866 0.55
protocols.relax.FastRelax: {0} MRP: 2 -265.386 -265.386 14.3578 5.18866
protocols.relax.FastRelax: {0} CMD: accept_to_best -265.386 14.3578 5.18866 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -265.386 14.3578 5.18866 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -265.386 14.3578 5.18866 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -328.556 14.3578 5.18866 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3116 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -337.566 14.3578 5.18866 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -335.835 14.3578 5.18866 0.02805
protocols.relax.FastRelax: {0} CMD: min -385.456 14.2624 5.3635 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -385.456 14.2624 5.3635 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.518 14.2624 5.3635 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3490 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -287.107 14.2624 5.3635 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.693 14.2624 5.3635 0.154
protocols.relax.FastRelax: {0} CMD: min -327.133 14.2899 5.29204 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -327.133 14.2899 5.29204 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.191 14.2899 5.29204 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2910 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -284.306 14.2899 5.29204 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.937 14.2899 5.29204 0.31955
protocols.relax.FastRelax: {0} CMD: min -290.422 14.2643 5.20426 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.422 14.2643 5.20426 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.438 14.2643 5.20426 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2845 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -245.583 14.2643 5.20426 0.55
protocols.relax.FastRelax: {0} CMD: min -268.484 14.3221 5.24766 0.55
protocols.relax.FastRelax: {0} MRP: 3 -268.484 -268.484 14.3221 5.24766
protocols.relax.FastRelax: {0} CMD: accept_to_best -268.484 14.3221 5.24766 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -268.484 14.3221 5.24766 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.484 14.3221 5.24766 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -332.336 14.3221 5.24766 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3092 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -341.346 14.3221 5.24766 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -339.485 14.3221 5.24766 0.02805
protocols.relax.FastRelax: {0} CMD: min -389.108 14.2702 5.21025 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -389.108 14.2702 5.21025 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.816 14.2702 5.21025 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3467 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -277.545 14.2702 5.21025 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.186 14.2702 5.21025 0.154
protocols.relax.FastRelax: {0} CMD: min -326.019 14.2591 5.12981 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.019 14.2591 5.12981 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.188 14.2591 5.12981 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3136 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -279.435 14.2591 5.12981 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.776 14.2591 5.12981 0.31955
protocols.relax.FastRelax: {0} CMD: min -292.589 14.2746 5.16332 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.589 14.2746 5.16332 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.714 14.2746 5.16332 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2841 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -251.003 14.2746 5.16332 0.55
protocols.relax.FastRelax: {0} CMD: min -265.732 14.2981 5.14067 0.55
protocols.relax.FastRelax: {0} MRP: 4 -265.732 -268.484 14.3221 5.24766
protocols.relax.FastRelax: {0} CMD: accept_to_best -265.732 14.2981 5.14067 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -265.732 14.2981 5.14067 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_31.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71450.5 14.2714 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71450.5 14.2714 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7224.05 14.2714 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2646 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -111.645 14.2714 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -98.2092 14.2714 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -268.062 13.6428 1.95705 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.062 13.6428 1.95705 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.85 13.6428 1.95705 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2575 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -148.76 13.6428 1.95705 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.59 13.6428 1.95705 0.154
protocols.relax.FastRelax: {0} CMD: min -222.675 13.7182 1.99888 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.675 13.7182 1.99888 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.197 13.7182 1.99888 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2472 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -175.548 13.7182 1.99888 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.732 13.7182 1.99888 0.31955
protocols.relax.FastRelax: {0} CMD: min -185.472 13.7853 1.92449 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.472 13.7853 1.92449 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -137.129 13.7853 1.92449 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2234 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -137.197 13.7853 1.92449 0.55
protocols.relax.FastRelax: {0} CMD: min -176.295 13.8996 2.5182 0.55
protocols.relax.FastRelax: {0} MRP: 0 -176.295 -176.295 13.8996 2.5182
protocols.relax.FastRelax: {0} CMD: accept_to_best -176.295 13.8996 2.5182 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -176.295 13.8996 2.5182 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.295 13.8996 2.5182 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.914 13.8996 2.5182 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2757 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -251.753 13.8996 2.5182 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.239 13.8996 2.5182 0.02805
protocols.relax.FastRelax: {0} CMD: min -309.441 13.6792 2.89621 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.441 13.6792 2.89621 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.684 13.6792 2.89621 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2621 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -188.858 13.6792 2.89621 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.251 13.6792 2.89621 0.154
protocols.relax.FastRelax: {0} CMD: min -246.056 13.7763 2.75175 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.056 13.7763 2.75175 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.92 13.7763 2.75175 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2493 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.614 13.7763 2.75175 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.945 13.7763 2.75175 0.31955
protocols.relax.FastRelax: {0} CMD: min -208.263 13.8204 2.7636 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.263 13.8204 2.7636 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.055 13.8204 2.7636 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2445 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -160.278 13.8204 2.7636 0.55
protocols.relax.FastRelax: {0} CMD: min -188.494 13.8543 3.07209 0.55
protocols.relax.FastRelax: {0} MRP: 1 -188.494 -188.494 13.8543 3.07209
protocols.relax.FastRelax: {0} CMD: accept_to_best -188.494 13.8543 3.07209 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -188.494 13.8543 3.07209 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -188.494 13.8543 3.07209 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.776 13.8543 3.07209 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2794 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -262.928 13.8543 3.07209 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.56 13.8543 3.07209 0.02805
protocols.relax.FastRelax: {0} CMD: min -317.93 13.6532 3.07772 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.93 13.6532 3.07772 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.364 13.6532 3.07772 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2729 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.191 13.6532 3.07772 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.035 13.6532 3.07772 0.154
protocols.relax.FastRelax: {0} CMD: min -253.183 13.7586 3.11302 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.183 13.7586 3.11302 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.634 13.7586 3.11302 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2472 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.752 13.7586 3.11302 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.087 13.7586 3.11302 0.31955
protocols.relax.FastRelax: {0} CMD: min -213.704 13.7888 3.07809 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.704 13.7888 3.07809 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.695 13.7888 3.07809 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2412 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -163.167 13.7888 3.07809 0.55
protocols.relax.FastRelax: {0} CMD: min -193.969 13.9408 3.7221 0.55
protocols.relax.FastRelax: {0} MRP: 2 -193.969 -193.969 13.9408 3.7221
protocols.relax.FastRelax: {0} CMD: accept_to_best -193.969 13.9408 3.7221 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -193.969 13.9408 3.7221 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.969 13.9408 3.7221 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.014 13.9408 3.7221 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2406 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.712 13.9408 3.7221 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.201 13.9408 3.7221 0.02805
protocols.relax.FastRelax: {0} CMD: min -323.184 13.7605 3.80267 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -323.184 13.7605 3.80267 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.298 13.7605 3.80267 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2782 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.903 13.7605 3.80267 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.195 13.7605 3.80267 0.154
protocols.relax.FastRelax: {0} CMD: min -251.619 13.9327 3.72318 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.619 13.9327 3.72318 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.974 13.9327 3.72318 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2540 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -201.434 13.9327 3.72318 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.382 13.9327 3.72318 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.445 13.9419 3.64206 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.445 13.9419 3.64206 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.882 13.9419 3.64206 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2304 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -180.437 13.9419 3.64206 0.55
protocols.relax.FastRelax: {0} CMD: min -201.589 14.0527 4.53561 0.55
protocols.relax.FastRelax: {0} MRP: 3 -201.589 -201.589 14.0527 4.53561
protocols.relax.FastRelax: {0} CMD: accept_to_best -201.589 14.0527 4.53561 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -201.589 14.0527 4.53561 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.589 14.0527 4.53561 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.652 14.0527 4.53561 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2426 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -275.667 14.0527 4.53561 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.196 14.0527 4.53561 0.02805
protocols.relax.FastRelax: {0} CMD: min -309.717 13.8549 4.51584 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.717 13.8549 4.51584 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.182 13.8549 4.51584 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2806 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.078 13.8549 4.51584 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.608 13.8549 4.51584 0.154
protocols.relax.FastRelax: {0} CMD: min -257.347 13.9512 4.37097 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.347 13.9512 4.37097 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.239 13.9512 4.37097 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2556 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.489 13.9512 4.37097 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.276 13.9512 4.37097 0.31955
protocols.relax.FastRelax: {0} CMD: min -226.863 14.0273 4.43022 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.863 14.0273 4.43022 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.381 14.0273 4.43022 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2253 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -185.927 14.0273 4.43022 0.55
protocols.relax.FastRelax: {0} CMD: min -201.477 14.0517 4.57299 0.55
protocols.relax.FastRelax: {0} MRP: 4 -201.477 -201.589 14.0527 4.53561
protocols.relax.FastRelax: {0} CMD: accept_to_best -201.477 14.0517 4.57299 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -201.477 14.0517 4.57299 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_35.pdb
protocols.relax.FastRelax: {0} CMD: repeat 68571.6 14.7333 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68571.6 14.7333 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7354.49 14.7333 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3067 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 104.879 14.7333 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 123.069 14.7333 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -268.952 14.7822 1.69236 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.952 14.7822 1.69236 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.698 14.7822 1.69236 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3198 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -165.198 14.7822 1.69236 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.559 14.7822 1.69236 0.154
protocols.relax.FastRelax: {0} CMD: min -224.674 14.8213 2.03197 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.674 14.8213 2.03197 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.222 14.8213 2.03197 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2924 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -182.446 14.8213 2.03197 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.123 14.8213 2.03197 0.31955
protocols.relax.FastRelax: {0} CMD: min -200.915 14.794 1.97823 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.915 14.794 1.97823 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.871 14.794 1.97823 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2756 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -162.251 14.794 1.97823 0.55
protocols.relax.FastRelax: {0} CMD: min -193.957 14.8068 2.18527 0.55
protocols.relax.FastRelax: {0} MRP: 0 -193.957 -193.957 14.8068 2.18527
protocols.relax.FastRelax: {0} CMD: accept_to_best -193.957 14.8068 2.18527 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -193.957 14.8068 2.18527 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.957 14.8068 2.18527 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.702 14.8068 2.18527 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3055 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -269.448 14.8068 2.18527 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.37 14.8068 2.18527 0.02805
protocols.relax.FastRelax: {0} CMD: min -320.793 14.6875 2.15582 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.793 14.6875 2.15582 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.152 14.6875 2.15582 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3279 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.768 14.6875 2.15582 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.46 14.6875 2.15582 0.154
protocols.relax.FastRelax: {0} CMD: min -260.579 14.7616 2.17974 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.579 14.7616 2.17974 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.201 14.7616 2.17974 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2854 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.645 14.7616 2.17974 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.064 14.7616 2.17974 0.31955
protocols.relax.FastRelax: {0} CMD: min -218.888 14.7759 2.10438 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.888 14.7759 2.10438 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.254 14.7759 2.10438 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2669 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -169.694 14.7759 2.10438 0.55
protocols.relax.FastRelax: {0} CMD: min -212.153 14.7521 2.16304 0.55
protocols.relax.FastRelax: {0} MRP: 1 -212.153 -212.153 14.7521 2.16304
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.153 14.7521 2.16304 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.153 14.7521 2.16304 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.153 14.7521 2.16304 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.163 14.7521 2.16304 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3130 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -280.324 14.7521 2.16304 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.93 14.7521 2.16304 0.02805
protocols.relax.FastRelax: {0} CMD: min -323.766 14.628 2.21122 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -323.766 14.628 2.21122 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.508 14.628 2.21122 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3361 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.794 14.628 2.21122 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.867 14.628 2.21122 0.154
protocols.relax.FastRelax: {0} CMD: min -270.12 14.7128 2.08371 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.12 14.7128 2.08371 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.173 14.7128 2.08371 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3021 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.279 14.7128 2.08371 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.891 14.7128 2.08371 0.31955
protocols.relax.FastRelax: {0} CMD: min -237.026 14.7601 2.04741 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.026 14.7601 2.04741 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.071 14.7601 2.04741 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2975 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.256 14.7601 2.04741 0.55
protocols.relax.FastRelax: {0} CMD: min -213.092 14.8343 2.10911 0.55
protocols.relax.FastRelax: {0} MRP: 2 -213.092 -213.092 14.8343 2.10911
protocols.relax.FastRelax: {0} CMD: accept_to_best -213.092 14.8343 2.10911 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -213.092 14.8343 2.10911 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.092 14.8343 2.10911 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.305 14.8343 2.10911 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3296 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -283.074 14.8343 2.10911 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.249 14.8343 2.10911 0.02805
protocols.relax.FastRelax: {0} CMD: min -331.856 14.5949 2.22541 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -331.856 14.5949 2.22541 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.731 14.5949 2.22541 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3361 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.38 14.5949 2.22541 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.064 14.5949 2.22541 0.154
protocols.relax.FastRelax: {0} CMD: min -274.934 14.7161 2.03962 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.934 14.7161 2.03962 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.279 14.7161 2.03962 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3047 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.751 14.7161 2.03962 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.378 14.7161 2.03962 0.31955
protocols.relax.FastRelax: {0} CMD: min -236.934 14.7597 2.00726 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.934 14.7597 2.00726 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.963 14.7597 2.00726 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3006 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -189.208 14.7597 2.00726 0.55
protocols.relax.FastRelax: {0} CMD: min -218.614 14.8105 2.09881 0.55
protocols.relax.FastRelax: {0} MRP: 3 -218.614 -218.614 14.8105 2.09881
protocols.relax.FastRelax: {0} CMD: accept_to_best -218.614 14.8105 2.09881 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -218.614 14.8105 2.09881 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.614 14.8105 2.09881 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.256 14.8105 2.09881 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3309 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -291.181 14.8105 2.09881 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.5 14.8105 2.09881 0.02805
protocols.relax.FastRelax: {0} CMD: min -343.79 14.6634 2.15718 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -343.79 14.6634 2.15718 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.111 14.6634 2.15718 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3296 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -239.063 14.6634 2.15718 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.512 14.6634 2.15718 0.154
protocols.relax.FastRelax: {0} CMD: min -282.481 14.745 2.10673 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.481 14.745 2.10673 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.653 14.745 2.10673 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3186 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -238.397 14.745 2.10673 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.934 14.745 2.10673 0.31955
protocols.relax.FastRelax: {0} CMD: min -247.818 14.7797 2.09102 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.818 14.7797 2.09102 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.956 14.7797 2.09102 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3172 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.072 14.7797 2.09102 0.55
protocols.relax.FastRelax: {0} CMD: min -225.605 14.8462 2.14752 0.55
protocols.relax.FastRelax: {0} MRP: 4 -225.605 -225.605 14.8462 2.14752
protocols.relax.FastRelax: {0} CMD: accept_to_best -225.605 14.8462 2.14752 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -225.605 14.8462 2.14752 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_18.pdb
protocols.relax.FastRelax: {0} CMD: repeat 69485.4 13.1372 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69485.4 13.1372 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7377.92 13.1372 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2920 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 165.195 13.1372 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 191.329 13.1372 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -174.9 12.8859 5.81024 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -174.9 12.8859 5.81024 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -17.765 12.8859 5.81024 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2380 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -65.2704 12.8859 5.81024 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -58.5352 12.8859 5.81024 0.154
protocols.relax.FastRelax: {0} CMD: min -167.734 12.8039 4.68357 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -167.734 12.8039 4.68357 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -131.216 12.8039 4.68357 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2273 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -137.239 12.8039 4.68357 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.628 12.8039 4.68357 0.31955
protocols.relax.FastRelax: {0} CMD: min -144.77 12.9498 5.22741 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -144.77 12.9498 5.22741 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -106.891 12.9498 5.22741 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2206 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -107.339 12.9498 5.22741 0.55
protocols.relax.FastRelax: {0} CMD: min -161.433 12.867 6.50875 0.55
protocols.relax.FastRelax: {0} MRP: 0 -161.433 -161.433 12.867 6.50875
protocols.relax.FastRelax: {0} CMD: accept_to_best -161.433 12.867 6.50875 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -161.433 12.867 6.50875 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -161.433 12.867 6.50875 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.503 12.867 6.50875 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2277 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.6 12.867 6.50875 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.18 12.867 6.50875 0.02805
protocols.relax.FastRelax: {0} CMD: min -260.051 12.7698 6.66708 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.051 12.7698 6.66708 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.762 12.7698 6.66708 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2628 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -184.3 12.7698 6.66708 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.663 12.7698 6.66708 0.154
protocols.relax.FastRelax: {0} CMD: min -214.039 12.7854 7.03649 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.039 12.7854 7.03649 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.068 12.7854 7.03649 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2443 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.278 12.7854 7.03649 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.481 12.7854 7.03649 0.31955
protocols.relax.FastRelax: {0} CMD: min -189.9 12.9271 6.99286 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189.9 12.9271 6.99286 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.55 12.9271 6.99286 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2350 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -153.233 12.9271 6.99286 0.55
protocols.relax.FastRelax: {0} CMD: min -180.098 12.7935 7.2075 0.55
protocols.relax.FastRelax: {0} MRP: 1 -180.098 -180.098 12.7935 7.2075
protocols.relax.FastRelax: {0} CMD: accept_to_best -180.098 12.7935 7.2075 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -180.098 12.7935 7.2075 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.098 12.7935 7.2075 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.75 12.7935 7.2075 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2394 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -246.977 12.7935 7.2075 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.755 12.7935 7.2075 0.02805
protocols.relax.FastRelax: {0} CMD: min -276.859 12.5103 6.75041 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -276.859 12.5103 6.75041 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.394 12.5103 6.75041 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2523 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.636 12.5103 6.75041 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.427 12.5103 6.75041 0.154
protocols.relax.FastRelax: {0} CMD: min -226.352 12.7882 6.99479 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.352 12.7882 6.99479 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.017 12.7882 6.99479 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2435 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.074 12.7882 6.99479 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.423 12.7882 6.99479 0.31955
protocols.relax.FastRelax: {0} CMD: min -198.463 12.8066 7.0185 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.463 12.8066 7.0185 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.153 12.8066 7.0185 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2343 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -162.613 12.8066 7.0185 0.55
protocols.relax.FastRelax: {0} CMD: min -185.943 12.8059 7.13526 0.55
protocols.relax.FastRelax: {0} MRP: 2 -185.943 -185.943 12.8059 7.13526
protocols.relax.FastRelax: {0} CMD: accept_to_best -185.943 12.8059 7.13526 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -185.943 12.8059 7.13526 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.943 12.8059 7.13526 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.093 12.8059 7.13526 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2359 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -253.014 12.8059 7.13526 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.314 12.8059 7.13526 0.02805
protocols.relax.FastRelax: {0} CMD: min -283.212 12.3093 6.45187 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -283.212 12.3093 6.45187 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.953 12.3093 6.45187 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2334 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.807 12.3093 6.45187 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.753 12.3093 6.45187 0.154
protocols.relax.FastRelax: {0} CMD: min -238.13 12.4486 7.03989 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.13 12.4486 7.03989 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.715 12.4486 7.03989 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2282 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -204.106 12.4486 7.03989 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.271 12.4486 7.03989 0.31955
protocols.relax.FastRelax: {0} CMD: min -210.565 12.5669 7.35772 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.565 12.5669 7.35772 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.113 12.5669 7.35772 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2194 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -172.253 12.5669 7.35772 0.55
protocols.relax.FastRelax: {0} CMD: min -192.344 12.5558 7.72481 0.55
protocols.relax.FastRelax: {0} MRP: 3 -192.344 -192.344 12.5558 7.72481
protocols.relax.FastRelax: {0} CMD: accept_to_best -192.344 12.5558 7.72481 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -192.344 12.5558 7.72481 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -192.344 12.5558 7.72481 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.389 12.5558 7.72481 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2444 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -258.328 12.5558 7.72481 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.036 12.5558 7.72481 0.02805
protocols.relax.FastRelax: {0} CMD: min -288.29 12.1816 6.71044 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.29 12.1816 6.71044 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.234 12.1816 6.71044 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2349 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.827 12.1816 6.71044 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.394 12.1816 6.71044 0.154
protocols.relax.FastRelax: {0} CMD: min -243.498 12.354 7.2068 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.498 12.354 7.2068 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.289 12.354 7.2068 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2342 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.671 12.354 7.2068 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.837 12.354 7.2068 0.31955
protocols.relax.FastRelax: {0} CMD: min -215.573 12.4236 7.21302 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.573 12.4236 7.21302 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.002 12.4236 7.21302 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2277 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.036 12.4236 7.21302 0.55
protocols.relax.FastRelax: {0} CMD: min -192.461 12.5263 7.571 0.55
protocols.relax.FastRelax: {0} MRP: 4 -192.461 -192.461 12.5263 7.571
protocols.relax.FastRelax: {0} CMD: accept_to_best -192.461 12.5263 7.571 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -192.461 12.5263 7.571 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_12.pdb
protocols.relax.FastRelax: {0} CMD: repeat 72327.9 17.3789 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72327.9 17.3789 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7061.96 17.3789 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2643 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 211.096 17.3789 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 254.266 17.3789 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -237.429 17.4866 11.7011 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.429 17.4866 11.7011 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -106.949 17.4866 11.7011 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2518 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -140.684 17.4866 11.7011 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -135.099 17.4866 11.7011 0.154
protocols.relax.FastRelax: {0} CMD: min -193.663 16.7675 10.9569 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.663 16.7675 10.9569 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.377 16.7675 10.9569 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2143 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -156.284 16.7675 10.9569 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.2 16.7675 10.9569 0.31955
protocols.relax.FastRelax: {0} CMD: min -165.42 16.9535 11.2148 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -165.42 16.9535 11.2148 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -123.22 16.9535 11.2148 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2033 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -124.881 16.9535 11.2148 0.55
protocols.relax.FastRelax: {0} CMD: min -177.836 15.7377 11.3545 0.55
protocols.relax.FastRelax: {0} MRP: 0 -177.836 -177.836 15.7377 11.3545
protocols.relax.FastRelax: {0} CMD: accept_to_best -177.836 15.7377 11.3545 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -177.836 15.7377 11.3545 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.836 15.7377 11.3545 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.588 15.7377 11.3545 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2279 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -244.24 15.7377 11.3545 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.009 15.7377 11.3545 0.02805
protocols.relax.FastRelax: {0} CMD: min -273.355 15.4007 11.1162 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.355 15.4007 11.1162 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.76 15.4007 11.1162 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2222 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -206.775 15.4007 11.1162 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.686 15.4007 11.1162 0.154
protocols.relax.FastRelax: {0} CMD: min -231.048 15.4422 11.4453 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.048 15.4422 11.4453 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.719 15.4422 11.4453 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2171 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.447 15.4422 11.4453 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.911 15.4422 11.4453 0.31955
protocols.relax.FastRelax: {0} CMD: min -204.702 15.5564 11.2835 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.702 15.5564 11.2835 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.036 15.5564 11.2835 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2100 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -168.329 15.5564 11.2835 0.55
protocols.relax.FastRelax: {0} CMD: min -191.983 15.4973 10.5114 0.55
protocols.relax.FastRelax: {0} MRP: 1 -191.983 -191.983 15.4973 10.5114
protocols.relax.FastRelax: {0} CMD: accept_to_best -191.983 15.4973 10.5114 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -191.983 15.4973 10.5114 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.983 15.4973 10.5114 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.632 15.4973 10.5114 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2198 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -253.809 15.4973 10.5114 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.39 15.4973 10.5114 0.02805
protocols.relax.FastRelax: {0} CMD: min -273.727 15.4485 10.6159 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.727 15.4485 10.6159 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.243 15.4485 10.6159 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2308 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.825 15.4485 10.6159 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.188 15.4485 10.6159 0.154
protocols.relax.FastRelax: {0} CMD: min -235.428 15.462 10.4696 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.428 15.462 10.4696 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.813 15.462 10.4696 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2286 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -204.342 15.462 10.4696 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.979 15.462 10.4696 0.31955
protocols.relax.FastRelax: {0} CMD: min -206.908 15.4839 10.5945 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.908 15.4839 10.5945 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.287 15.4839 10.5945 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2140 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -171.229 15.4839 10.5945 0.55
protocols.relax.FastRelax: {0} CMD: min -194.019 15.2708 10.758 0.55
protocols.relax.FastRelax: {0} MRP: 2 -194.019 -194.019 15.2708 10.758
protocols.relax.FastRelax: {0} CMD: accept_to_best -194.019 15.2708 10.758 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -194.019 15.2708 10.758 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.019 15.2708 10.758 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.163 15.2708 10.758 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2321 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -255.198 15.2708 10.758 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.364 15.2708 10.758 0.02805
protocols.relax.FastRelax: {0} CMD: min -280.832 14.6676 10.99 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.832 14.6676 10.99 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.423 14.6676 10.99 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2318 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.264 14.6676 10.99 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.644 14.6676 10.99 0.154
protocols.relax.FastRelax: {0} CMD: min -237.511 14.8942 10.8204 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.511 14.8942 10.8204 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.186 14.8942 10.8204 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2234 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -202.782 14.8942 10.8204 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.014 14.8942 10.8204 0.31955
protocols.relax.FastRelax: {0} CMD: min -212.453 14.8595 10.7512 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.453 14.8595 10.7512 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.652 14.8595 10.7512 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2169 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -177.159 14.8595 10.7512 0.55
protocols.relax.FastRelax: {0} CMD: min -197.851 14.8033 11.1758 0.55
protocols.relax.FastRelax: {0} MRP: 3 -197.851 -197.851 14.8033 11.1758
protocols.relax.FastRelax: {0} CMD: accept_to_best -197.851 14.8033 11.1758 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -197.851 14.8033 11.1758 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.851 14.8033 11.1758 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.912 14.8033 11.1758 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2318 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -268.98 14.8033 11.1758 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.736 14.8033 11.1758 0.02805
protocols.relax.FastRelax: {0} CMD: min -310.923 14.4135 11.2091 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.923 14.4135 11.2091 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.206 14.4135 11.2091 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2569 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.453 14.4135 11.2091 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.639 14.4135 11.2091 0.154
protocols.relax.FastRelax: {0} CMD: min -259.307 14.4706 11.4887 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.307 14.4706 11.4887 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.557 14.4706 11.4887 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2257 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.587 14.4706 11.4887 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.43 14.4706 11.4887 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.355 14.615 11.5639 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.355 14.615 11.5639 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.638 14.615 11.5639 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2240 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -178.233 14.615 11.5639 0.55
protocols.relax.FastRelax: {0} CMD: min -203.801 14.6428 11.5058 0.55
protocols.relax.FastRelax: {0} MRP: 4 -203.801 -203.801 14.6428 11.5058
protocols.relax.FastRelax: {0} CMD: accept_to_best -203.801 14.6428 11.5058 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -203.801 14.6428 11.5058 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_21.pdb
protocols.relax.FastRelax: {0} CMD: repeat 69883.3 16.3861 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69883.3 16.3861 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6739 16.3861 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3213 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -78.1262 16.3861 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -48.9869 16.3861 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -264.773 16.0205 2.37607 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.773 16.0205 2.37607 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.72 16.0205 2.37607 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3100 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -162.257 16.0205 2.37607 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -156.003 16.0205 2.37607 0.154
protocols.relax.FastRelax: {0} CMD: min -221.36 16.2707 2.53388 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.36 16.2707 2.53388 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.708 16.2707 2.53388 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2802 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -187.439 16.2707 2.53388 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.553 16.2707 2.53388 0.31955
protocols.relax.FastRelax: {0} CMD: min -193.66 16.3073 2.44415 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.66 16.3073 2.44415 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.329 16.3073 2.44415 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2613 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -156.64 16.3073 2.44415 0.55
protocols.relax.FastRelax: {0} CMD: min -192.059 16.4249 2.85141 0.55
protocols.relax.FastRelax: {0} MRP: 0 -192.059 -192.059 16.4249 2.85141
protocols.relax.FastRelax: {0} CMD: accept_to_best -192.059 16.4249 2.85141 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -192.059 16.4249 2.85141 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -192.059 16.4249 2.85141 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.53 16.4249 2.85141 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3117 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.384 16.4249 2.85141 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.286 16.4249 2.85141 0.02805
protocols.relax.FastRelax: {0} CMD: min -294.722 16.3222 2.78721 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.722 16.3222 2.78721 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.275 16.3222 2.78721 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3209 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.055 16.3222 2.78721 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.974 16.3222 2.78721 0.154
protocols.relax.FastRelax: {0} CMD: min -253.867 16.3358 2.7678 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.867 16.3358 2.7678 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.702 16.3358 2.7678 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2895 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -217.905 16.3358 2.7678 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.051 16.3358 2.7678 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.411 16.3895 2.79836 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.411 16.3895 2.79836 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.783 16.3895 2.79836 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2838 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -183.163 16.3895 2.79836 0.55
protocols.relax.FastRelax: {0} CMD: min -204.946 16.3807 2.73419 0.55
protocols.relax.FastRelax: {0} MRP: 1 -204.946 -204.946 16.3807 2.73419
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.946 16.3807 2.73419 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.946 16.3807 2.73419 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.946 16.3807 2.73419 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.146 16.3807 2.73419 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3206 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -275.941 16.3807 2.73419 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.881 16.3807 2.73419 0.02805
protocols.relax.FastRelax: {0} CMD: min -320.879 16.2443 2.9186 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.879 16.2443 2.9186 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.988 16.2443 2.9186 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3141 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -227.31 16.2443 2.9186 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.723 16.2443 2.9186 0.154
protocols.relax.FastRelax: {0} CMD: min -261.108 16.3332 2.9812 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.108 16.3332 2.9812 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.722 16.3332 2.9812 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2871 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.174 16.3332 2.9812 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.971 16.3332 2.9812 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.79 16.396 3.03674 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.79 16.396 3.03674 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.337 16.396 3.03674 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2820 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.833 16.396 3.03674 0.55
protocols.relax.FastRelax: {0} CMD: min -209.038 16.4339 2.95966 0.55
protocols.relax.FastRelax: {0} MRP: 2 -209.038 -209.038 16.4339 2.95966
protocols.relax.FastRelax: {0} CMD: accept_to_best -209.038 16.4339 2.95966 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -209.038 16.4339 2.95966 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.038 16.4339 2.95966 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.411 16.4339 2.95966 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2956 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -278.397 16.4339 2.95966 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.986 16.4339 2.95966 0.02805
protocols.relax.FastRelax: {0} CMD: min -310.897 16.3081 2.90667 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.897 16.3081 2.90667 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.805 16.3081 2.90667 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2926 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.687 16.3081 2.90667 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.337 16.3081 2.90667 0.154
protocols.relax.FastRelax: {0} CMD: min -261.728 16.3959 3.0743 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.728 16.3959 3.0743 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.552 16.3959 3.0743 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2772 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -225.595 16.3959 3.0743 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.755 16.3959 3.0743 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.183 16.4711 3.13305 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.183 16.4711 3.13305 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.432 16.4711 3.13305 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2581 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -190.647 16.4711 3.13305 0.55
protocols.relax.FastRelax: {0} CMD: min -211.651 16.4749 3.14488 0.55
protocols.relax.FastRelax: {0} MRP: 3 -211.651 -211.651 16.4749 3.14488
protocols.relax.FastRelax: {0} CMD: accept_to_best -211.651 16.4749 3.14488 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -211.651 16.4749 3.14488 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.651 16.4749 3.14488 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.557 16.4749 3.14488 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3106 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -281.497 16.4749 3.14488 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.315 16.4749 3.14488 0.02805
protocols.relax.FastRelax: {0} CMD: min -328.03 16.29 3.15786 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -328.03 16.29 3.15786 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.244 16.29 3.15786 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3095 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.844 16.29 3.15786 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.718 16.29 3.15786 0.154
protocols.relax.FastRelax: {0} CMD: min -270.668 16.3886 3.12456 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.668 16.3886 3.12456 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.116 16.3886 3.12456 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2860 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -229.832 16.3886 3.12456 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.592 16.3886 3.12456 0.31955
protocols.relax.FastRelax: {0} CMD: min -236.913 16.4418 3.12109 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.913 16.4418 3.12109 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.389 16.4418 3.12109 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2787 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -197.475 16.4418 3.12109 0.55
protocols.relax.FastRelax: {0} CMD: min -212.506 16.4585 3.16685 0.55
protocols.relax.FastRelax: {0} MRP: 4 -212.506 -212.506 16.4585 3.16685
protocols.relax.FastRelax: {0} CMD: accept_to_best -212.506 16.4585 3.16685 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -212.506 16.4585 3.16685 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_9.pdb
protocols.relax.FastRelax: {0} CMD: repeat 77326.7 11.3876 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 77326.7 11.3876 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7060.03 11.3876 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2606 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 144.673 11.3876 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 174.071 11.3876 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -2.44144 10.4774 5.22969 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -2.44144 10.4774 5.22969 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 1024.11 10.4774 5.22969 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2496 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 345.62 10.4774 5.22969 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 376.985 10.4774 5.22969 0.154
protocols.relax.FastRelax: {0} CMD: min -215.376 10.3414 5.19631 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.376 10.3414 5.19631 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.24 10.3414 5.19631 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2296 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.281 10.3414 5.19631 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.15 10.3414 5.19631 0.31955
protocols.relax.FastRelax: {0} CMD: min -186.947 10.3831 4.98274 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -186.947 10.3831 4.98274 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -146.497 10.3831 4.98274 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2250 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -146.725 10.3831 4.98274 0.55
protocols.relax.FastRelax: {0} CMD: min -182.22 10.1963 5.68491 0.55
protocols.relax.FastRelax: {0} MRP: 0 -182.22 -182.22 10.1963 5.68491
protocols.relax.FastRelax: {0} CMD: accept_to_best -182.22 10.1963 5.68491 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -182.22 10.1963 5.68491 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -182.22 10.1963 5.68491 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.715 10.1963 5.68491 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2472 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -256.434 10.1963 5.68491 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.995 10.1963 5.68491 0.02805
protocols.relax.FastRelax: {0} CMD: min -307.24 9.98579 6.03948 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.24 9.98579 6.03948 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.613 9.98579 6.03948 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2520 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.734 9.98579 6.03948 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.161 9.98579 6.03948 0.154
protocols.relax.FastRelax: {0} CMD: min -257.604 10.0052 6.07758 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.604 10.0052 6.07758 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.158 10.0052 6.07758 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2361 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.552 10.0052 6.07758 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.33 10.0052 6.07758 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.314 9.98536 6.20389 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.314 9.98536 6.20389 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.919 9.98536 6.20389 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2284 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -179.338 9.98536 6.20389 0.55
protocols.relax.FastRelax: {0} CMD: min -205.844 9.88646 7.03575 0.55
protocols.relax.FastRelax: {0} MRP: 1 -205.844 -205.844 9.88646 7.03575
protocols.relax.FastRelax: {0} CMD: accept_to_best -205.844 9.88646 7.03575 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -205.844 9.88646 7.03575 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.844 9.88646 7.03575 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.175 9.88646 7.03575 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2543 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -276.134 9.88646 7.03575 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.714 9.88646 7.03575 0.02805
protocols.relax.FastRelax: {0} CMD: min -317.108 9.65878 6.83446 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.108 9.65878 6.83446 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.928 9.65878 6.83446 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2519 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -232.745 9.65878 6.83446 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.298 9.65878 6.83446 0.154
protocols.relax.FastRelax: {0} CMD: min -263.908 9.71389 7.08522 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.908 9.71389 7.08522 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.615 9.71389 7.08522 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2442 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.699 9.71389 7.08522 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.481 9.71389 7.08522 0.31955
protocols.relax.FastRelax: {0} CMD: min -231.249 9.81995 7.19555 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.249 9.81995 7.19555 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.568 9.81995 7.19555 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2317 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -190.956 9.81995 7.19555 0.55
protocols.relax.FastRelax: {0} CMD: min -213.374 9.78595 7.81947 0.55
protocols.relax.FastRelax: {0} MRP: 2 -213.374 -213.374 9.78595 7.81947
protocols.relax.FastRelax: {0} CMD: accept_to_best -213.374 9.78595 7.81947 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -213.374 9.78595 7.81947 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.374 9.78595 7.81947 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.673 9.78595 7.81947 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2596 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -286.118 9.78595 7.81947 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.448 9.78595 7.81947 0.02805
protocols.relax.FastRelax: {0} CMD: min -337.629 9.58664 8.24037 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -337.629 9.58664 8.24037 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.297 9.58664 8.24037 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2789 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -218.922 9.58664 8.24037 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.288 9.58664 8.24037 0.154
protocols.relax.FastRelax: {0} CMD: min -282.533 9.72206 8.55262 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.533 9.72206 8.55262 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.616 9.72206 8.55262 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2572 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -237.907 9.72206 8.55262 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.374 9.72206 8.55262 0.31955
protocols.relax.FastRelax: {0} CMD: min -245.199 9.72781 8.52533 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.199 9.72781 8.52533 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.425 9.72781 8.52533 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2462 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -199.662 9.72781 8.52533 0.55
protocols.relax.FastRelax: {0} CMD: min -217.488 9.7681 8.5314 0.55
protocols.relax.FastRelax: {0} MRP: 3 -217.488 -217.488 9.7681 8.5314
protocols.relax.FastRelax: {0} CMD: accept_to_best -217.488 9.7681 8.5314 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -217.488 9.7681 8.5314 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.488 9.7681 8.5314 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.228 9.7681 8.5314 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2772 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -291.738 9.7681 8.5314 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -290.123 9.7681 8.5314 0.02805
protocols.relax.FastRelax: {0} CMD: min -352.042 9.72265 8.49224 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -352.042 9.72265 8.49224 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.967 9.72265 8.49224 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2733 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.664 9.72265 8.49224 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.539 9.72265 8.49224 0.154
protocols.relax.FastRelax: {0} CMD: min -284.922 9.68516 8.40343 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.922 9.68516 8.40343 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.572 9.68516 8.40343 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2613 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -236.806 9.68516 8.40343 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.985 9.68516 8.40343 0.31955
protocols.relax.FastRelax: {0} CMD: min -243.018 9.66086 8.33563 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.018 9.66086 8.33563 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.68 9.66086 8.33563 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2513 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -193.924 9.66086 8.33563 0.55
protocols.relax.FastRelax: {0} CMD: min -221.43 9.85116 8.75971 0.55
protocols.relax.FastRelax: {0} MRP: 4 -221.43 -221.43 9.85116 8.75971
protocols.relax.FastRelax: {0} CMD: accept_to_best -221.43 9.85116 8.75971 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -221.43 9.85116 8.75971 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_20.pdb
protocols.relax.FastRelax: {0} CMD: repeat 71174.1 18.8525 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71174.1 18.8525 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7200.56 18.8525 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2170 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 357.503 18.8525 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 386.06 18.8525 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -192.551 18.6915 9.63613 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -192.551 18.6915 9.63613 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 186.118 18.6915 9.63613 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2714 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -121.43 18.6915 9.63613 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -113.997 18.6915 9.63613 0.154
protocols.relax.FastRelax: {0} CMD: min -223.893 19.2178 9.72651 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.893 19.2178 9.72651 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.193 19.2178 9.72651 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2604 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -186.572 19.2178 9.72651 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.544 19.2178 9.72651 0.31955
protocols.relax.FastRelax: {0} CMD: min -187.282 19.3073 9.70637 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -187.282 19.3073 9.70637 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.666 19.3073 9.70637 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2587 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -135.457 19.3073 9.70637 0.55
protocols.relax.FastRelax: {0} CMD: min -190.631 19.2705 9.09313 0.55
protocols.relax.FastRelax: {0} MRP: 0 -190.631 -190.631 19.2705 9.09313
protocols.relax.FastRelax: {0} CMD: accept_to_best -190.631 19.2705 9.09313 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -190.631 19.2705 9.09313 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.631 19.2705 9.09313 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.793 19.2705 9.09313 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2617 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.477 19.2705 9.09313 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.21 19.2705 9.09313 0.02805
protocols.relax.FastRelax: {0} CMD: min -311.012 18.5198 9.16574 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.012 18.5198 9.16574 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.409 18.5198 9.16574 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2774 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.19 18.5198 9.16574 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.762 18.5198 9.16574 0.154
protocols.relax.FastRelax: {0} CMD: min -255.464 18.6863 9.20289 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.464 18.6863 9.20289 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.861 18.6863 9.20289 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2737 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -213.146 18.6863 9.20289 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.93 18.6863 9.20289 0.31955
protocols.relax.FastRelax: {0} CMD: min -218.689 18.8945 9.04815 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.689 18.8945 9.04815 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.884 18.8945 9.04815 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2533 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -175.413 18.8945 9.04815 0.55
protocols.relax.FastRelax: {0} CMD: min -198.412 18.6893 8.80065 0.55
protocols.relax.FastRelax: {0} MRP: 1 -198.412 -198.412 18.6893 8.80065
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.412 18.6893 8.80065 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.412 18.6893 8.80065 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.412 18.6893 8.80065 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.91 18.6893 8.80065 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2760 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -278.28 18.6893 8.80065 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.026 18.6893 8.80065 0.02805
protocols.relax.FastRelax: {0} CMD: min -313.215 17.8664 9.44348 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -313.215 17.8664 9.44348 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.351 17.8664 9.44348 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2883 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -207.209 17.8664 9.44348 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.864 17.8664 9.44348 0.154
protocols.relax.FastRelax: {0} CMD: min -258.377 18.3339 9.01296 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.377 18.3339 9.01296 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.802 18.3339 9.01296 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2636 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.988 18.3339 9.01296 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.66 18.3339 9.01296 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.458 18.3835 9.28239 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.458 18.3835 9.28239 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.335 18.3835 9.28239 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2580 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -174.174 18.3835 9.28239 0.55
protocols.relax.FastRelax: {0} CMD: min -196.804 18.8029 9.0965 0.55
protocols.relax.FastRelax: {0} MRP: 2 -196.804 -198.412 18.6893 8.80065
protocols.relax.FastRelax: {0} CMD: accept_to_best -196.804 18.8029 9.0965 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -196.804 18.8029 9.0965 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.804 18.8029 9.0965 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.971 18.8029 9.0965 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2774 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -278.791 18.8029 9.0965 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.682 18.8029 9.0965 0.02805
protocols.relax.FastRelax: {0} CMD: min -310.712 18.2334 9.41517 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.712 18.2334 9.41517 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.975 18.2334 9.41517 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2868 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -224.529 18.2334 9.41517 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.28 18.2334 9.41517 0.154
protocols.relax.FastRelax: {0} CMD: min -254.396 18.4597 9.19788 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.396 18.4597 9.19788 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.846 18.4597 9.19788 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2733 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.281 18.4597 9.19788 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.082 18.4597 9.19788 0.31955
protocols.relax.FastRelax: {0} CMD: min -223.527 18.4893 9.08686 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.527 18.4893 9.08686 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.674 18.4893 9.08686 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2666 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -182.814 18.4893 9.08686 0.55
protocols.relax.FastRelax: {0} CMD: min -199.851 18.5399 8.82649 0.55
protocols.relax.FastRelax: {0} MRP: 3 -199.851 -199.851 18.5399 8.82649
protocols.relax.FastRelax: {0} CMD: accept_to_best -199.851 18.5399 8.82649 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -199.851 18.5399 8.82649 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.851 18.5399 8.82649 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.112 18.5399 8.82649 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2834 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -279.57 18.5399 8.82649 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.776 18.5399 8.82649 0.02805
protocols.relax.FastRelax: {0} CMD: min -307.407 18.1592 8.93716 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.407 18.1592 8.93716 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.115 18.1592 8.93716 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2790 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.263 18.1592 8.93716 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.557 18.1592 8.93716 0.154
protocols.relax.FastRelax: {0} CMD: min -260.199 18.275 8.63612 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.199 18.275 8.63612 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.988 18.275 8.63612 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2713 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -221.618 18.275 8.63612 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.423 18.275 8.63612 0.31955
protocols.relax.FastRelax: {0} CMD: min -232.152 18.4022 8.8849 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.152 18.4022 8.8849 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.573 18.4022 8.8849 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2554 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.59 18.4022 8.8849 0.55
protocols.relax.FastRelax: {0} CMD: min -202.634 18.4698 8.87054 0.55
protocols.relax.FastRelax: {0} MRP: 4 -202.634 -202.634 18.4698 8.87054
protocols.relax.FastRelax: {0} CMD: accept_to_best -202.634 18.4698 8.87054 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -202.634 18.4698 8.87054 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_28.pdb
protocols.relax.FastRelax: {0} CMD: repeat 67255.8 14.1891 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 67255.8 14.1891 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6570.5 14.1891 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3263 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -87.7213 14.1891 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -59.7367 14.1891 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -255.796 14.4526 2.76521 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.796 14.4526 2.76521 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -112.854 14.4526 2.76521 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3005 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -151.878 14.4526 2.76521 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.857 14.4526 2.76521 0.154
protocols.relax.FastRelax: {0} CMD: min -245.631 14.1634 2.92411 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.631 14.1634 2.92411 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.797 14.1634 2.92411 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2886 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -205.333 14.1634 2.92411 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.947 14.1634 2.92411 0.31955
protocols.relax.FastRelax: {0} CMD: min -208.211 14.2159 2.83486 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.211 14.2159 2.83486 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.652 14.2159 2.83486 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2687 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -157.739 14.2159 2.83486 0.55
protocols.relax.FastRelax: {0} CMD: min -221.947 14.452 3.48401 0.55
protocols.relax.FastRelax: {0} MRP: 0 -221.947 -221.947 14.452 3.48401
protocols.relax.FastRelax: {0} CMD: accept_to_best -221.947 14.452 3.48401 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -221.947 14.452 3.48401 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.947 14.452 3.48401 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.769 14.452 3.48401 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3135 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -298.57 14.452 3.48401 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.406 14.452 3.48401 0.02805
protocols.relax.FastRelax: {0} CMD: min -343.884 14.0056 3.62709 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -343.884 14.0056 3.62709 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.665 14.0056 3.62709 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3438 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.662 14.0056 3.62709 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.804 14.0056 3.62709 0.154
protocols.relax.FastRelax: {0} CMD: min -283.653 14.2475 3.61672 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -283.653 14.2475 3.61672 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.463 14.2475 3.61672 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3084 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.958 14.2475 3.61672 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.957 14.2475 3.61672 0.31955
protocols.relax.FastRelax: {0} CMD: min -254.757 14.284 3.55274 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.757 14.284 3.55274 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.47 14.284 3.55274 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2841 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -215.457 14.284 3.55274 0.55
protocols.relax.FastRelax: {0} CMD: min -247.549 14.4433 3.57364 0.55
protocols.relax.FastRelax: {0} MRP: 1 -247.549 -247.549 14.4433 3.57364
protocols.relax.FastRelax: {0} CMD: accept_to_best -247.549 14.4433 3.57364 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -247.549 14.4433 3.57364 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.549 14.4433 3.57364 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.268 14.4433 3.57364 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3097 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -321.535 14.4433 3.57364 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.509 14.4433 3.57364 0.02805
protocols.relax.FastRelax: {0} CMD: min -363.085 14.076 3.89326 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -363.085 14.076 3.89326 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.378 14.076 3.89326 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3234 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -249.414 14.076 3.89326 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.632 14.076 3.89326 0.154
protocols.relax.FastRelax: {0} CMD: min -295.443 13.9391 3.68682 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.443 13.9391 3.68682 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.383 13.9391 3.68682 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3171 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.198 13.9391 3.68682 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.641 13.9391 3.68682 0.31955
protocols.relax.FastRelax: {0} CMD: min -262.137 13.9585 3.68879 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.137 13.9585 3.68879 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.943 13.9585 3.68879 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2729 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -219.427 13.9585 3.68879 0.55
protocols.relax.FastRelax: {0} CMD: min -246.878 14.0769 3.46725 0.55
protocols.relax.FastRelax: {0} MRP: 2 -246.878 -247.549 14.4433 3.57364
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.878 14.0769 3.46725 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.878 14.0769 3.46725 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.878 14.0769 3.46725 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -310.292 14.0769 3.46725 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2878 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -317.957 14.0769 3.46725 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -315.497 14.0769 3.46725 0.02805
protocols.relax.FastRelax: {0} CMD: min -360.181 13.763 3.4079 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -360.181 13.763 3.4079 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.478 13.763 3.4079 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3203 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -256.232 13.763 3.4079 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.65 13.763 3.4079 0.154
protocols.relax.FastRelax: {0} CMD: min -303.86 13.8532 3.44267 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.86 13.8532 3.44267 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.617 13.8532 3.44267 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2887 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -261.891 13.8532 3.44267 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.546 13.8532 3.44267 0.31955
protocols.relax.FastRelax: {0} CMD: min -268.066 13.8897 3.50723 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.066 13.8897 3.50723 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.297 13.8897 3.50723 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2593 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.944 13.8897 3.50723 0.55
protocols.relax.FastRelax: {0} CMD: min -246.941 14.1154 3.43388 0.55
protocols.relax.FastRelax: {0} MRP: 3 -246.941 -247.549 14.4433 3.57364
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.941 14.1154 3.43388 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.941 14.1154 3.43388 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.941 14.1154 3.43388 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -309.937 14.1154 3.43388 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3048 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -320.073 14.1154 3.43388 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.99 14.1154 3.43388 0.02805
protocols.relax.FastRelax: {0} CMD: min -358.471 13.8572 3.31003 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -358.471 13.8572 3.31003 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.254 13.8572 3.31003 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3161 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -252.779 13.8572 3.31003 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.824 13.8572 3.31003 0.154
protocols.relax.FastRelax: {0} CMD: min -303.237 13.8571 3.44256 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.237 13.8571 3.44256 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.291 13.8571 3.44256 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3022 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -260.67 13.8571 3.44256 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.288 13.8571 3.44256 0.31955
protocols.relax.FastRelax: {0} CMD: min -270.633 13.9605 3.42705 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.633 13.9605 3.42705 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.661 13.9605 3.42705 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2952 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.716 13.9605 3.42705 0.55
protocols.relax.FastRelax: {0} CMD: min -247.929 14.166 3.42068 0.55
protocols.relax.FastRelax: {0} MRP: 4 -247.929 -247.929 14.166 3.42068
protocols.relax.FastRelax: {0} CMD: accept_to_best -247.929 14.166 3.42068 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -247.929 14.166 3.42068 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_8.pdb
protocols.relax.FastRelax: {0} CMD: repeat 76095 16.1597 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 76095 16.1597 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7603.9 16.1597 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2836 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -20.2145 16.1597 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 19.0612 16.1597 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -223.616 15.6974 2.40958 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.616 15.6974 2.40958 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -75.348 15.6974 2.40958 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2880 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -116.511 15.6974 2.40958 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -109.653 15.6974 2.40958 0.154
protocols.relax.FastRelax: {0} CMD: min -184.987 15.59 2.89985 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -184.987 15.59 2.89985 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.531 15.59 2.89985 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2690 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -147.299 15.59 2.89985 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.129 15.59 2.89985 0.31955
protocols.relax.FastRelax: {0} CMD: min -156.58 15.4553 3.00727 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -156.58 15.4553 3.00727 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -111.858 15.4553 3.00727 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2538 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -111.603 15.4553 3.00727 0.55
protocols.relax.FastRelax: {0} CMD: min -176.708 15.7044 3.50462 0.55
protocols.relax.FastRelax: {0} MRP: 0 -176.708 -176.708 15.7044 3.50462
protocols.relax.FastRelax: {0} CMD: accept_to_best -176.708 15.7044 3.50462 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -176.708 15.7044 3.50462 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.708 15.7044 3.50462 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.945 15.7044 3.50462 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2745 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -259.883 15.7044 3.50462 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.644 15.7044 3.50462 0.02805
protocols.relax.FastRelax: {0} CMD: min -300.586 15.4141 3.99818 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -300.586 15.4141 3.99818 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.289 15.4141 3.99818 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2989 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.529 15.4141 3.99818 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.586 15.4141 3.99818 0.154
protocols.relax.FastRelax: {0} CMD: min -236.739 15.4713 3.82752 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.739 15.4713 3.82752 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.936 15.4713 3.82752 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2631 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -195.62 15.4713 3.82752 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.343 15.4713 3.82752 0.31955
protocols.relax.FastRelax: {0} CMD: min -205.024 15.5211 3.81445 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.024 15.5211 3.81445 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.285 15.5211 3.81445 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2554 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -163.568 15.5211 3.81445 0.55
protocols.relax.FastRelax: {0} CMD: min -189.289 15.5321 3.84372 0.55
protocols.relax.FastRelax: {0} MRP: 1 -189.289 -189.289 15.5321 3.84372
protocols.relax.FastRelax: {0} CMD: accept_to_best -189.289 15.5321 3.84372 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -189.289 15.5321 3.84372 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189.289 15.5321 3.84372 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.861 15.5321 3.84372 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2957 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.431 15.5321 3.84372 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.843 15.5321 3.84372 0.02805
protocols.relax.FastRelax: {0} CMD: min -319.44 15.4244 4.0494 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.44 15.4244 4.0494 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.7 15.4244 4.0494 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2810 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.537 15.4244 4.0494 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.395 15.4244 4.0494 0.154
protocols.relax.FastRelax: {0} CMD: min -256.269 15.4163 3.87387 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.269 15.4163 3.87387 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.586 15.4163 3.87387 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2768 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -210.135 15.4163 3.87387 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.477 15.4163 3.87387 0.31955
protocols.relax.FastRelax: {0} CMD: min -222.254 15.4227 3.84933 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.254 15.4227 3.84933 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.734 15.4227 3.84933 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2621 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -178.935 15.4227 3.84933 0.55
protocols.relax.FastRelax: {0} CMD: min -198.406 15.6098 3.76065 0.55
protocols.relax.FastRelax: {0} MRP: 2 -198.406 -198.406 15.6098 3.76065
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.406 15.6098 3.76065 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.406 15.6098 3.76065 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.406 15.6098 3.76065 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.674 15.6098 3.76065 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2995 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -271.856 15.6098 3.76065 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.542 15.6098 3.76065 0.02805
protocols.relax.FastRelax: {0} CMD: min -319.787 15.4985 4.06224 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.787 15.4985 4.06224 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.483 15.4985 4.06224 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2913 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -209.868 15.4985 4.06224 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.994 15.4985 4.06224 0.154
protocols.relax.FastRelax: {0} CMD: min -256.751 15.5654 3.83044 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.751 15.5654 3.83044 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.68 15.5654 3.83044 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2783 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.771 15.5654 3.83044 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.411 15.5654 3.83044 0.31955
protocols.relax.FastRelax: {0} CMD: min -224.573 15.5325 3.84973 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.573 15.5325 3.84973 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.735 15.5325 3.84973 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2644 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -182.849 15.5325 3.84973 0.55
protocols.relax.FastRelax: {0} CMD: min -198.983 15.6249 3.77869 0.55
protocols.relax.FastRelax: {0} MRP: 3 -198.983 -198.983 15.6249 3.77869
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.983 15.6249 3.77869 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.983 15.6249 3.77869 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.983 15.6249 3.77869 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.398 15.6249 3.77869 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2988 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -272.435 15.6249 3.77869 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.4 15.6249 3.77869 0.02805
protocols.relax.FastRelax: {0} CMD: min -320.036 15.5282 4.06812 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.036 15.5282 4.06812 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.625 15.5282 4.06812 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2861 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -216.847 15.5282 4.06812 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.185 15.5282 4.06812 0.154
protocols.relax.FastRelax: {0} CMD: min -256.515 15.6063 3.94825 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.515 15.6063 3.94825 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.641 15.6063 3.94825 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2663 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.248 15.6063 3.94825 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.805 15.6063 3.94825 0.31955
protocols.relax.FastRelax: {0} CMD: min -221.268 15.5388 3.82662 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.268 15.5388 3.82662 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.573 15.5388 3.82662 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2588 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -174.563 15.5388 3.82662 0.55
protocols.relax.FastRelax: {0} CMD: min -198.979 15.6196 3.78566 0.55
protocols.relax.FastRelax: {0} MRP: 4 -198.979 -198.983 15.6249 3.77869
protocols.relax.FastRelax: {0} CMD: accept_to_best -198.979 15.6196 3.78566 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -198.979 15.6196 3.78566 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_19.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70056.8 16.7079 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70056.8 16.7079 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7035.71 16.7079 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3512 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 164.412 16.7079 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 201.811 16.7079 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -269.058 17.0244 2.23697 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -269.058 17.0244 2.23697 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -114.78 17.0244 2.23697 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3413 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -147.529 17.0244 2.23697 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -139.271 17.0244 2.23697 0.154
protocols.relax.FastRelax: {0} CMD: min -209.882 16.8425 2.04173 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.882 16.8425 2.04173 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.375 16.8425 2.04173 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2801 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -159.787 16.8425 2.04173 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.877 16.8425 2.04173 0.31955
protocols.relax.FastRelax: {0} CMD: min -172.452 16.7753 2.07189 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -172.452 16.7753 2.07189 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.282 16.7753 2.07189 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2599 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -125.019 16.7753 2.07189 0.55
protocols.relax.FastRelax: {0} CMD: min -193.533 16.0463 2.53605 0.55
protocols.relax.FastRelax: {0} MRP: 0 -193.533 -193.533 16.0463 2.53605
protocols.relax.FastRelax: {0} CMD: accept_to_best -193.533 16.0463 2.53605 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -193.533 16.0463 2.53605 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.533 16.0463 2.53605 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.71 16.0463 2.53605 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3478 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -271.963 16.0463 2.53605 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.881 16.0463 2.53605 0.02805
protocols.relax.FastRelax: {0} CMD: min -333.123 15.3548 3.66733 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -333.123 15.3548 3.66733 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.986 15.3548 3.66733 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3469 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -200.24 15.3548 3.66733 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.378 15.3548 3.66733 0.154
protocols.relax.FastRelax: {0} CMD: min -260.167 15.2711 4.10885 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.167 15.2711 4.10885 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.23 15.2711 4.10885 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3267 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -214.379 15.2711 4.10885 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.661 15.2711 4.10885 0.31955
protocols.relax.FastRelax: {0} CMD: min -234.68 15.3088 4.15055 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.68 15.3088 4.15055 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.269 15.3088 4.15055 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3178 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -196.132 15.3088 4.15055 0.55
protocols.relax.FastRelax: {0} CMD: min -219.399 15.3969 4.04702 0.55
protocols.relax.FastRelax: {0} MRP: 1 -219.399 -219.399 15.3969 4.04702
protocols.relax.FastRelax: {0} CMD: accept_to_best -219.399 15.3969 4.04702 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -219.399 15.3969 4.04702 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.399 15.3969 4.04702 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.882 15.3969 4.04702 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3858 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -295.59 15.3969 4.04702 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.654 15.3969 4.04702 0.02805
protocols.relax.FastRelax: {0} CMD: min -350.623 15.2502 4.05313 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -350.623 15.2502 4.05313 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.49 15.2502 4.05313 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3637 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -233.325 15.2502 4.05313 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.152 15.2502 4.05313 0.154
protocols.relax.FastRelax: {0} CMD: min -290.599 15.3268 3.95089 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.599 15.3268 3.95089 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.58 15.3268 3.95089 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3515 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -248.442 15.3268 3.95089 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.138 15.3268 3.95089 0.31955
protocols.relax.FastRelax: {0} CMD: min -254.289 15.391 3.92152 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.289 15.391 3.92152 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.011 15.391 3.92152 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3182 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -212.345 15.391 3.92152 0.55
protocols.relax.FastRelax: {0} CMD: min -235.933 15.385 3.98562 0.55
protocols.relax.FastRelax: {0} MRP: 2 -235.933 -235.933 15.385 3.98562
protocols.relax.FastRelax: {0} CMD: accept_to_best -235.933 15.385 3.98562 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -235.933 15.385 3.98562 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.933 15.385 3.98562 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.076 15.385 3.98562 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3803 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -310.015 15.385 3.98562 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.958 15.385 3.98562 0.02805
protocols.relax.FastRelax: {0} CMD: min -348.63 15.2205 4.32737 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -348.63 15.2205 4.32737 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.338 15.2205 4.32737 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3872 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -263.451 15.2205 4.32737 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.039 15.2205 4.32737 0.154
protocols.relax.FastRelax: {0} CMD: min -297.024 15.2781 4.15385 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.024 15.2781 4.15385 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.224 15.2781 4.15385 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3447 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -256.352 15.2781 4.15385 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.143 15.2781 4.15385 0.31955
protocols.relax.FastRelax: {0} CMD: min -263.745 15.3216 4.09162 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.745 15.3216 4.09162 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.666 15.3216 4.09162 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3283 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -222.075 15.3216 4.09162 0.55
protocols.relax.FastRelax: {0} CMD: min -245.59 15.3802 4.06107 0.55
protocols.relax.FastRelax: {0} MRP: 3 -245.59 -245.59 15.3802 4.06107
protocols.relax.FastRelax: {0} CMD: accept_to_best -245.59 15.3802 4.06107 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -245.59 15.3802 4.06107 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.59 15.3802 4.06107 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308.92 15.3802 4.06107 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3857 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -319.713 15.3802 4.06107 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.468 15.3802 4.06107 0.02805
protocols.relax.FastRelax: {0} CMD: min -364.254 15.1323 4.28607 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.254 15.1323 4.28607 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.778 15.1323 4.28607 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3843 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -250.178 15.1323 4.28607 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.747 15.1323 4.28607 0.154
protocols.relax.FastRelax: {0} CMD: min -305.915 15.2439 4.07808 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -305.915 15.2439 4.07808 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.852 15.2439 4.07808 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3364 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -262.087 15.2439 4.07808 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.645 15.2439 4.07808 0.31955
protocols.relax.FastRelax: {0} CMD: min -271.222 15.3266 4.05014 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.222 15.3266 4.05014 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.261 15.3266 4.05014 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3229 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.331 15.3266 4.05014 0.55
protocols.relax.FastRelax: {0} CMD: min -246.444 15.3828 4.05951 0.55
protocols.relax.FastRelax: {0} MRP: 4 -246.444 -246.444 15.3828 4.05951
protocols.relax.FastRelax: {0} CMD: accept_to_best -246.444 15.3828 4.05951 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -246.444 15.3828 4.05951 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_29.pdb
protocols.relax.FastRelax: {0} CMD: repeat 77548.3 15.2346 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 77548.3 15.2346 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 8106.52 15.2346 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2593 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 105.541 15.2346 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 128.093 15.2346 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -278.856 15.3867 1.84109 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.856 15.3867 1.84109 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.383 15.3867 1.84109 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2866 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -142.797 15.3867 1.84109 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.021 15.3867 1.84109 0.154
protocols.relax.FastRelax: {0} CMD: min -210.45 15.5384 1.8835 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.45 15.5384 1.8835 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.219 15.5384 1.8835 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2462 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -159.451 15.5384 1.8835 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.371 15.5384 1.8835 0.31955
protocols.relax.FastRelax: {0} CMD: min -163.74 15.5569 1.77773 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -163.74 15.5569 1.77773 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -104.645 15.5569 1.77773 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2361 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -106.604 15.5569 1.77773 0.55
protocols.relax.FastRelax: {0} CMD: min -172.006 15.6431 2.7108 0.55
protocols.relax.FastRelax: {0} MRP: 0 -172.006 -172.006 15.6431 2.7108
protocols.relax.FastRelax: {0} CMD: accept_to_best -172.006 15.6431 2.7108 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -172.006 15.6431 2.7108 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -172.006 15.6431 2.7108 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.885 15.6431 2.7108 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2513 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -256.278 15.6431 2.7108 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.312 15.6431 2.7108 0.02805
protocols.relax.FastRelax: {0} CMD: min -311.315 15.5209 3.33237 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.315 15.5209 3.33237 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.597 15.5209 3.33237 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3029 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -185.178 15.5209 3.33237 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.458 15.5209 3.33237 0.154
protocols.relax.FastRelax: {0} CMD: min -240.897 15.6014 3.10814 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.897 15.6014 3.10814 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.327 15.6014 3.10814 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2546 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -189.774 15.6014 3.10814 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.749 15.6014 3.10814 0.31955
protocols.relax.FastRelax: {0} CMD: min -197.995 15.5815 3.05186 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.995 15.5815 3.05186 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.076 15.5815 3.05186 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2465 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -144.629 15.5815 3.05186 0.55
protocols.relax.FastRelax: {0} CMD: min -176.113 15.5422 2.64014 0.55
protocols.relax.FastRelax: {0} MRP: 1 -176.113 -176.113 15.5422 2.64014
protocols.relax.FastRelax: {0} CMD: accept_to_best -176.113 15.5422 2.64014 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -176.113 15.5422 2.64014 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -176.113 15.5422 2.64014 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.09 15.5422 2.64014 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2761 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -267.486 15.5422 2.64014 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.879 15.5422 2.64014 0.02805
protocols.relax.FastRelax: {0} CMD: min -331.45 15.2293 2.95785 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -331.45 15.2293 2.95785 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.063 15.2293 2.95785 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2990 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -192.393 15.2293 2.95785 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.577 15.2293 2.95785 0.154
protocols.relax.FastRelax: {0} CMD: min -254.779 15.304 2.68369 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.779 15.304 2.68369 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.396 15.304 2.68369 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2629 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -203.616 15.304 2.68369 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.515 15.304 2.68369 0.31955
protocols.relax.FastRelax: {0} CMD: min -215.921 15.4445 2.68112 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.921 15.4445 2.68112 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -167.451 15.4445 2.68112 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2545 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -167.662 15.4445 2.68112 0.55
protocols.relax.FastRelax: {0} CMD: min -194.797 15.2786 2.42481 0.55
protocols.relax.FastRelax: {0} MRP: 2 -194.797 -194.797 15.2786 2.42481
protocols.relax.FastRelax: {0} CMD: accept_to_best -194.797 15.2786 2.42481 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -194.797 15.2786 2.42481 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.797 15.2786 2.42481 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.152 15.2786 2.42481 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2998 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -282.182 15.2786 2.42481 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.625 15.2786 2.42481 0.02805
protocols.relax.FastRelax: {0} CMD: min -341.259 14.8654 2.78533 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -341.259 14.8654 2.78533 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.281 14.8654 2.78533 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3342 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -208.794 14.8654 2.78533 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.268 14.8654 2.78533 0.154
protocols.relax.FastRelax: {0} CMD: min -271.644 14.9911 2.71043 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.644 14.9911 2.71043 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.355 14.9911 2.71043 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3013 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -220.892 14.9911 2.71043 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.89 14.9911 2.71043 0.31955
protocols.relax.FastRelax: {0} CMD: min -229.092 15.0821 2.68883 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.092 15.0821 2.68883 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.443 15.0821 2.68883 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2605 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -177.919 15.0821 2.68883 0.55
protocols.relax.FastRelax: {0} CMD: min -204.6 15.1665 2.5453 0.55
protocols.relax.FastRelax: {0} MRP: 3 -204.6 -204.6 15.1665 2.5453
protocols.relax.FastRelax: {0} CMD: accept_to_best -204.6 15.1665 2.5453 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -204.6 15.1665 2.5453 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.6 15.1665 2.5453 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.497 15.1665 2.5453 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2969 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -285.147 15.1665 2.5453 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.132 15.1665 2.5453 0.02805
protocols.relax.FastRelax: {0} CMD: min -327.332 14.9731 2.72277 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -327.332 14.9731 2.72277 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.51 14.9731 2.72277 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3330 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.273 14.9731 2.72277 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.126 14.9731 2.72277 0.154
protocols.relax.FastRelax: {0} CMD: min -275.376 15.1032 2.68756 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.376 15.1032 2.68756 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.983 15.1032 2.68756 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3060 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -230.378 15.1032 2.68756 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.797 15.1032 2.68756 0.31955
protocols.relax.FastRelax: {0} CMD: min -236.64 15.1707 2.70773 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.64 15.1707 2.70773 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.728 15.1707 2.70773 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2832 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -189.086 15.1707 2.70773 0.55
protocols.relax.FastRelax: {0} CMD: min -206.656 15.1702 2.54476 0.55
protocols.relax.FastRelax: {0} MRP: 4 -206.656 -206.656 15.1702 2.54476
protocols.relax.FastRelax: {0} CMD: accept_to_best -206.656 15.1702 2.54476 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -206.656 15.1702 2.54476 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Working on decoy: outputs/1BL0/decoy_0.pdb
protocols.relax.FastRelax: {0} CMD: repeat 70996.4 15.8152 0 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70996.4 15.8152 0 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7196.67 15.8152 0 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2691 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack 63.5881 15.8152 0 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep 87.8007 15.8152 0 0.02805
protocols.relax.FastRelax: {0} CMD: min -308.593 15.8619 4.6998 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.593 15.8619 4.6998 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -156.516 15.8619 4.6998 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2704 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -191.313 15.8619 4.6998 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.497 15.8619 4.6998 0.154
protocols.relax.FastRelax: {0} CMD: min -268.035 16.0431 5.31282 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.035 16.0431 5.31282 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.994 16.0431 5.31282 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2511 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -223.602 16.0431 5.31282 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.149 16.0431 5.31282 0.31955
protocols.relax.FastRelax: {0} CMD: min -234.474 15.9838 5.63319 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.474 15.9838 5.63319 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.736 15.9838 5.63319 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2451 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -194.23 15.9838 5.63319 0.55
protocols.relax.FastRelax: {0} CMD: min 512.29 15.737 5.5649 0.55
protocols.relax.FastRelax: {0} MRP: 0 512.29 512.29 15.737 5.5649
protocols.relax.FastRelax: {0} CMD: accept_to_best 512.29 15.737 5.5649 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat 512.29 15.737 5.5649 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight 512.29 15.737 5.5649 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.693 15.737 5.5649 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2583 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -284.39 15.737 5.5649 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.657 15.737 5.5649 0.02805
protocols.relax.FastRelax: {0} CMD: min -359.462 15.9707 5.30416 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -359.462 15.9707 5.30416 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.787 15.9707 5.30416 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2971 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -244.745 15.9707 5.30416 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.824 15.9707 5.30416 0.154
protocols.relax.FastRelax: {0} CMD: min -300.453 16.1169 5.42811 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -300.453 16.1169 5.42811 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.294 16.1169 5.42811 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2685 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -258.96 16.1169 5.42811 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.713 16.1169 5.42811 0.31955
protocols.relax.FastRelax: {0} CMD: min -268.541 16.181 5.60837 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.541 16.181 5.60837 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.414 16.181 5.60837 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2596 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -228.641 16.181 5.60837 0.55
protocols.relax.FastRelax: {0} CMD: min -255.13 16.37 5.68145 0.55
protocols.relax.FastRelax: {0} MRP: 1 -255.13 -255.13 16.37 5.68145
protocols.relax.FastRelax: {0} CMD: accept_to_best -255.13 16.37 5.68145 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -255.13 16.37 5.68145 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.13 16.37 5.68145 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -313.105 16.37 5.68145 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2914 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -325.18 16.37 5.68145 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -322.525 16.37 5.68145 0.02805
protocols.relax.FastRelax: {0} CMD: min -372.767 16.4538 5.82027 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -372.767 16.4538 5.82027 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.541 16.4538 5.82027 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2876 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -273.481 16.4538 5.82027 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.388 16.4538 5.82027 0.154
protocols.relax.FastRelax: {0} CMD: min -312.92 16.3746 5.82074 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.92 16.3746 5.82074 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.658 16.3746 5.82074 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2742 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -269.784 16.3746 5.82074 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.516 16.3746 5.82074 0.31955
protocols.relax.FastRelax: {0} CMD: min -280.459 16.3339 5.87434 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.459 16.3339 5.87434 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.716 16.3339 5.87434 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2621 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -240.83 16.3339 5.87434 0.55
protocols.relax.FastRelax: {0} CMD: min -255.611 16.3016 5.85431 0.55
protocols.relax.FastRelax: {0} MRP: 2 -255.611 -255.611 16.3016 5.85431
protocols.relax.FastRelax: {0} CMD: accept_to_best -255.611 16.3016 5.85431 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -255.611 16.3016 5.85431 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.611 16.3016 5.85431 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -314.724 16.3016 5.85431 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2884 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -326.377 16.3016 5.85431 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -324.026 16.3016 5.85431 0.02805
protocols.relax.FastRelax: {0} CMD: min -364.981 16.3579 5.97787 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.981 16.3579 5.97787 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.093 16.3579 5.97787 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2875 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -283.709 16.3579 5.97787 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.563 16.3579 5.97787 0.154
protocols.relax.FastRelax: {0} CMD: min -312.831 16.3238 5.94176 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.831 16.3238 5.94176 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.702 16.3238 5.94176 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2617 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -272.508 16.3238 5.94176 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.3 16.3238 5.94176 0.31955
protocols.relax.FastRelax: {0} CMD: min -281.519 16.3364 5.8906 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.519 16.3364 5.8906 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.994 16.3364 5.8906 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2556 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -243.652 16.3364 5.8906 0.55
protocols.relax.FastRelax: {0} CMD: min -257.82 16.3381 5.83681 0.55
protocols.relax.FastRelax: {0} MRP: 3 -257.82 -257.82 16.3381 5.83681
protocols.relax.FastRelax: {0} CMD: accept_to_best -257.82 16.3381 5.83681 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -257.82 16.3381 5.83681 0.55
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.82 16.3381 5.83681 0.55
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -316.53 16.3381 5.83681 0.022
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2937 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -324.164 16.3381 5.83681 0.022
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -321.512 16.3381 5.83681 0.02805
protocols.relax.FastRelax: {0} CMD: min -380.562 16.3869 5.89136 0.02805
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -380.562 16.3869 5.89136 0.02805
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.721 16.3869 5.89136 0.14575
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 3139 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -262.968 16.3869 5.89136 0.14575
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.498 16.3869 5.89136 0.154
protocols.relax.FastRelax: {0} CMD: min -314.522 16.3848 5.85171 0.154
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -314.522 16.3848 5.85171 0.154
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.971 16.3848 5.85171 0.30745
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2638 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -271.265 16.3848 5.85171 0.30745
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.866 16.3848 5.85171 0.31955
protocols.relax.FastRelax: {0} CMD: min -283.872 16.4205 5.6656 0.31955
protocols.relax.FastRelax: {0} CMD: coord_cst_weight -283.872 16.4205 5.6656 0.31955
protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.949 16.4205 5.6656 0.55
core.pack.task: {0} Packer task: initialize from command line()
core.pack.pack_rotamers: {0} built 2585 rotamers at 116 positions.
core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation.
core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph
core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested).
protocols.relax.FastRelax: {0} CMD: repack -246.12 16.4205 5.6656 0.55
protocols.relax.FastRelax: {0} CMD: min -259.542 16.3728 5.80664 0.55
protocols.relax.FastRelax: {0} MRP: 4 -259.542 -259.542 16.3728 5.80664
protocols.relax.FastRelax: {0} CMD: accept_to_best -259.542 16.3728 5.80664 0.55
protocols.relax.FastRelax: {0} CMD: endrepeat -259.542 16.3728 5.80664 0.55
protocols::checkpoint: {0} Deleting checkpoints of FastRelax
Evaluating the folding results by getting the energies and RMSDs (distnace from the native pose) of each one of the predicted structures¶
In [50]:
decoy_poses = [prs.pose_from_pdb(f) for f in glob.glob(job_output + '*.pdb')]
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_41.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_1.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_37.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_13.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_5.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_33.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_39.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_9.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_47.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_11.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_32.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_26.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_4.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_49.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_40.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_10.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_43.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_35.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_21.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_14.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_7.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_6.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_2.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_24.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_8.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_42.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_20.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_17.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_25.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_22.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_44.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_34.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_45.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_3.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_23.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_38.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_16.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_18.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_28.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_48.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_15.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_46.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_30.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_19.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_27.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_0.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_36.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_29.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_31.pdb' automatically determined to be of type PDB
core.import_pose.import_pose: {0} File 'outputs/1BL0/decoy_12.pdb' automatically determined to be of type PDB
In [51]:
def align_and_get_rmsds(native_pose, decoy_poses):
prs.rosetta.core.pose.full_model_info.make_sure_full_model_info_is_setup(native_pose)
rmsds = []
for p in decoy_poses:
prs.rosetta.core.pose.full_model_info.make_sure_full_model_info_is_setup(p)
rmsds += [prs.rosetta.protocols.stepwise.modeler.align.superimpose_with_stepwise_aligner(native_pose, p)]
return rmsds
In [52]:
rmsds = align_and_get_rmsds(native_pose, decoy_poses)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.0749486)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.7203129)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.2966451)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.0070544)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.8656847)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.0177827)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 8.6426712)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.2624658)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.7576579)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.2344505)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.8111064)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3916371)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.5669502)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.2517303)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.6665747)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.3997096)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.4343577)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.6675384)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.6858497)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3173897)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.6631114)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.4177234)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.2831697)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.3869583)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.4568750)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.9834670)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.3765487)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.1323020)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.0464896)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.8716525)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 18.5292170)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.8900181)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.3824096)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.7845234)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3066570)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.7304969)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.6828258)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.5188697)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.5680718)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.7590911)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.9518502)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.5388681)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.6357603)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3190860)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.8806290)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.6794996)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.2683752)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.1678686)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.1342224)
protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.0230631)
In [53]:
rmsd_data = []
for i in range(1, len(decoy_poses)): # print out the job scores
rmsd_data.append({'structure': decoy_poses[i].pdb_info().name(),
'rmsd': rmsds[i],
'energy_score': scores[i]})
In [54]:
rmsd_df = pd.DataFrame(rmsd_data)
In [55]:
rmsd_df.sort_values('rmsd')
Out[55]:
| energy_score | rmsd | structure | |
|---|---|---|---|
| 5 | -212.465333 | 8.642671 | outputs/1BL0/decoy_39.pdb |
| 13 | -240.561878 | 10.666575 | outputs/1BL0/decoy_40.pdb |
| 30 | -197.577797 | 10.890018 | outputs/1BL0/decoy_34.pdb |
| 14 | -228.841333 | 11.399710 | outputs/1BL0/decoy_10.pdb |
| 11 | -246.439027 | 11.566950 | outputs/1BL0/decoy_4.pdb |
| 44 | -202.633616 | 11.679500 | outputs/1BL0/decoy_0.pdb |
| 9 | -210.981925 | 11.811106 | outputs/1BL0/decoy_32.pdb |
| 21 | -226.524213 | 12.283170 | outputs/1BL0/decoy_2.pdb |
| 20 | -247.146657 | 12.417723 | outputs/1BL0/decoy_6.pdb |
| 23 | -245.230839 | 12.456875 | outputs/1BL0/decoy_8.pdb |
| 17 | -230.346306 | 12.685850 | outputs/1BL0/decoy_21.pdb |
| 43 | -221.430421 | 12.880629 | outputs/1BL0/decoy_27.pdb |
| 24 | -217.765265 | 12.983467 | outputs/1BL0/decoy_42.pdb |
| 2 | -171.492482 | 13.007054 | outputs/1BL0/decoy_13.pdb |
| 48 | -206.656022 | 13.023063 | outputs/1BL0/decoy_12.pdb |
| 27 | -231.875544 | 13.046490 | outputs/1BL0/decoy_25.pdb |
| 26 | -246.405521 | 13.132302 | outputs/1BL0/decoy_17.pdb |
| 45 | -247.928967 | 13.268375 | outputs/1BL0/decoy_36.pdb |
| 1 | -204.065171 | 13.296645 | outputs/1BL0/decoy_37.pdb |
| 22 | -232.097261 | 13.386958 | outputs/1BL0/decoy_24.pdb |
| 15 | -204.623999 | 13.434358 | outputs/1BL0/decoy_43.pdb |
| 36 | -217.331318 | 13.518870 | outputs/1BL0/decoy_18.pdb |
| 40 | -192.461436 | 13.538868 | outputs/1BL0/decoy_46.pdb |
| 0 | -237.576119 | 13.720313 | outputs/1BL0/decoy_1.pdb |
| 38 | -201.588690 | 13.759091 | outputs/1BL0/decoy_48.pdb |
| 28 | -201.080937 | 13.871652 | outputs/1BL0/decoy_22.pdb |
| 47 | -246.443942 | 14.134222 | outputs/1BL0/decoy_31.pdb |
| 46 | -198.982626 | 14.167869 | outputs/1BL0/decoy_29.pdb |
| 12 | -258.721131 | 14.251730 | outputs/1BL0/decoy_49.pdb |
| 6 | -196.454980 | 14.262466 | outputs/1BL0/decoy_9.pdb |
| 33 | -207.462713 | 14.306657 | outputs/1BL0/decoy_23.pdb |
| 18 | -207.670695 | 14.317390 | outputs/1BL0/decoy_14.pdb |
| 42 | -212.505728 | 14.319086 | outputs/1BL0/decoy_19.pdb |
| 10 | -226.916452 | 14.391637 | outputs/1BL0/decoy_26.pdb |
| 37 | -268.483687 | 14.568072 | outputs/1BL0/decoy_28.pdb |
| 41 | -203.800862 | 14.635760 | outputs/1BL0/decoy_30.pdb |
| 16 | -240.814460 | 14.667538 | outputs/1BL0/decoy_35.pdb |
| 35 | -212.352972 | 14.682826 | outputs/1BL0/decoy_16.pdb |
| 34 | -243.125585 | 14.730497 | outputs/1BL0/decoy_38.pdb |
| 32 | -232.733875 | 14.784523 | outputs/1BL0/decoy_3.pdb |
| 39 | -225.605436 | 14.951850 | outputs/1BL0/decoy_15.pdb |
| 4 | -220.540794 | 15.017783 | outputs/1BL0/decoy_33.pdb |
| 8 | -233.236372 | 15.234450 | outputs/1BL0/decoy_11.pdb |
| 19 | -231.258347 | 15.663111 | outputs/1BL0/decoy_7.pdb |
| 7 | -255.882500 | 15.757658 | outputs/1BL0/decoy_47.pdb |
| 3 | -199.233768 | 15.865685 | outputs/1BL0/decoy_5.pdb |
| 25 | -212.330077 | 16.376549 | outputs/1BL0/decoy_20.pdb |
| 31 | -224.865241 | 16.382410 | outputs/1BL0/decoy_45.pdb |
| 29 | -198.842741 | 18.529217 | outputs/1BL0/decoy_44.pdb |
Q: Plot the energy_score VS rmsd. Are the lowest energy structures the closest to the native one?¶
In [58]:
import matplotlib.pyplot as plt
plt.scatter(rmsd_df["energy_score"], rmsd_df["rmsd"])
plt.xlabel("energy_score")
plt.ylabel("rmsd")
plt.show()
In [ ]: