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.
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.
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
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
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.
native_pose.sequence()
'DAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMTEIAQKLKESNEPILYLAERYGFESQQTLTRTFKNYFDVPPHKYRMTNMQGESRFLHPL'
We can also assign the correct secondary structure.
DSSP = prs.rosetta.protocols.moves.DsspMover()
DSSP.apply(native_pose) # populates the pose's Pose.secstruct
protocols.DsspMover: {0} LHHHHHHHHHHHHLLLLLLLLLHHHHHHLLLLHHHHHHHHHHHHLLLHHHHHHHHHHHHHHHHHHHLLLLHHHHHHHHLLLLHHHHHHHHHHHHLLLHHHHHLLLLLLLLLLLLLL
Let's view more information about the first residue of the protein.
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
pose = prs.pose_from_sequence(native_pose.sequence())
test_pose = prs.Pose()
test_pose.assign(pose)
test_pose.pdb_info().name('Linearized Pose')
view = ngl.show_rosetta(test_pose)
view.add_ball_and_stick()
view # zoom in to see the atoms!
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.
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_full_atom = prs.SwitchResidueTypeSetMover('fa_standard')
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
# 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!
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
# 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
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
print("Number of 9mers: ", fragset_long.size())
print("Number of 3mers: ", fragset_short.size())
Number of 9mers: 21600 Number of 3mers: 1600
# Making sure the structure is in centroid-only mode for the search
test_pose.assign(pose)
to_centroid.apply(test_pose)
# 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)
mc = prs.MonteCarlo(test_pose, scorefxn_low, kT)
trial = prs.TrialMover(folding_mover, mc)
# Setting up how many cycles of search to do in each trajectory
folding = prs.RepeatMover(trial, cycles)
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
scores = [0] * (jobs + 1)
scores[0] = scorefxn_low(test_pose)
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
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
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
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
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)
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]})
rmsd_df = pd.DataFrame(rmsd_data)
rmsd_df.sort_values('rmsd')
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 |
import matplotlib.pyplot as plt
plt.scatter(rmsd_df["energy_score"], rmsd_df["rmsd"])
plt.xlabel("energy_score")
plt.ylabel("rmsd")
plt.show()