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/tommysmith176/anaconda3/lib/python3.7/site-packages/pyrosetta/database basic.random.init_random_generator: {0} 'RNG device' seed mode, using '/dev/urandom', seed=1854151119 seed_offset=0 real_seed=1854151119 thread_index=0 basic.random.init_random_generator: {0} RandomGenerator:init: Normal mode, seed=1854151119 RG_type=mt19937
scorefxn_low = prs.create_score_function('score3')
scorefxn_high = prs.get_fa_scorefxn()
core.scoring.ScoreFunctionFactory: {0} SCOREFUNCTION: ref2015
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))
Full Atom Score: 46414.5467132469 Centroid Score: 454.1228630783549
# here write the code to visualize the centroid only structure and print the information of the 1st residue
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_centroid.apply(test_pose)
print('Centroid Score:', scorefxn_low(test_pose))
view = ngl.show_rosetta(test_pose)
view.add_ball_and_stick()
view # zoom in to see the atoms!
#test_pose.is_centroid()
core.util.switchresiduetypeset: {0} [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes.
Centroid Score: 454.1228630783549
# 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
200 of each?
# 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/tommysmith176/anaconda3/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_40.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 70635.1 0 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70635.1 0 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6927.96 0 0 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 basic.thread_manager.RosettaThreadManager: {?} Creating a thread pool of 8 threads. basic.thread_manager.RosettaThread: {?} Launching thread 1. basic.thread_manager.RosettaThread: {?} Launching thread 2. basic.thread_manager.RosettaThread: {?} Launching thread 4. basic.random.init_random_generator: {?} 'RNG device' seed mode, using '/dev/urandom', seed=-2118247730 seed_offset=0 real_seed=-2118247729 thread_index=1 basic.random.init_random_generator: {?} RandomGenerator:init: Normal mode, seed=-2118247729 RG_type=mt19937 basic.thread_manager.RosettaThreadPool: {?} Launched 7 new threads. basic.random.init_random_generator: {2} 'RNG device' seed mode, using '/dev/urandom', seed=-1538245069 seed_offset=0 real_seed=-1538245067 thread_index=2 basic.random.init_random_generator: {2} RandomGenerator:init: Normal mode, seed=-1538245067 RG_type=mt19937 basic.thread_manager.RosettaThread: {5} Launching thread 5. basic.thread_manager.RosettaThread: {7} Launching thread 7. basic.thread_manager.RosettaThread: {3} Launching thread 3. basic.random.init_random_generator: {4} 'RNG device' seed mode, using '/dev/urandom', seed=1264395913 seed_offset=0 real_seed=1264395917 thread_index=4 basic.random.init_random_generator: {4} RandomGenerator:init: Normal mode, seed=1264395917 RG_type=mt19937 basic.thread_manager.RosettaThread: {6} Launching thread 6. basic.random.init_random_generator: {3} 'RNG device' seed mode, using '/dev/urandom', seed=1371921218 seed_offset=0 real_seed=1371921221 thread_index=3 basic.random.init_random_generator: {3} RandomGenerator:init: Normal mode, seed=1371921221 RG_type=mt19937 basic.random.init_random_generator: {7} 'RNG device' seed mode, using '/dev/urandom', seed=1713933009 seed_offset=0 real_seed=1713933016 thread_index=7 basic.random.init_random_generator: {7} RandomGenerator:init: Normal mode, seed=1713933016 RG_type=mt19937 basic.random.init_random_generator: {5} 'RNG device' seed mode, using '/dev/urandom', seed=-503396849 seed_offset=0 real_seed=-503396844 thread_index=5 basic.random.init_random_generator: {5} RandomGenerator:init: Normal mode, seed=-503396844 RG_type=mt19937 basic.random.init_random_generator: {6} 'RNG device' seed mode, using '/dev/urandom', seed=2140042929 seed_offset=0 real_seed=2140042935 thread_index=6 basic.random.init_random_generator: {6} RandomGenerator:init: Normal mode, seed=2140042935 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 -86.34 0 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -67.3139 0 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -250.165 3.04404 3.04404 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.165 3.04404 3.04404 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -123.599 3.04404 3.04404 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 -147.491 3.04404 3.04404 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.695 3.04404 3.04404 0.154 protocols.relax.FastRelax: {0} CMD: min -213.591 2.84712 2.84712 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.591 2.84712 2.84712 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.616 2.84712 2.84712 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 -172.542 2.84712 2.84712 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.185 2.84712 2.84712 0.31955 protocols.relax.FastRelax: {0} CMD: min -188.283 3.06803 3.06803 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -188.283 3.06803 3.06803 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.133 3.06803 3.06803 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2471 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -148.699 3.06803 3.06803 0.55 protocols.relax.FastRelax: {0} CMD: min -197.669 3.69392 3.69392 0.55 protocols.relax.FastRelax: {0} MRP: 0 -197.669 -197.669 3.69392 3.69392 protocols.relax.FastRelax: {0} CMD: accept_to_best -197.669 3.69392 3.69392 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -197.669 3.69392 3.69392 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.669 3.69392 3.69392 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.68 3.69392 3.69392 0.022 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 -269.956 3.69392 3.69392 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.007 3.69392 3.69392 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.885 4.20664 4.20664 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.885 4.20664 4.20664 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.655 4.20664 4.20664 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3038 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -224.099 4.20664 4.20664 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.5 4.20664 4.20664 0.154 protocols.relax.FastRelax: {0} CMD: min -258.277 3.98187 3.98187 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.277 3.98187 3.98187 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.989 3.98187 3.98187 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 -220.818 3.98187 3.98187 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.868 3.98187 3.98187 0.31955 protocols.relax.FastRelax: {0} CMD: min -225.448 3.79419 3.79419 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.448 3.79419 3.79419 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.845 3.79419 3.79419 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2653 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -184.379 3.79419 3.79419 0.55 protocols.relax.FastRelax: {0} CMD: min -203.413 3.68211 3.68211 0.55 protocols.relax.FastRelax: {0} MRP: 1 -203.413 -203.413 3.68211 3.68211 protocols.relax.FastRelax: {0} CMD: accept_to_best -203.413 3.68211 3.68211 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -203.413 3.68211 3.68211 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.413 3.68211 3.68211 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.518 3.68211 3.68211 0.022 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 -274.589 3.68211 3.68211 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.803 3.68211 3.68211 0.02805 protocols.relax.FastRelax: {0} CMD: min -303.569 4.34817 4.34817 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.569 4.34817 4.34817 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.866 4.34817 4.34817 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 -223.854 4.34817 4.34817 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.428 4.34817 4.34817 0.154 protocols.relax.FastRelax: {0} CMD: min -259.854 3.80385 3.80385 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.854 3.80385 3.80385 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.634 3.80385 3.80385 0.30745 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 -223.832 3.80385 3.80385 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.998 3.80385 3.80385 0.31955 protocols.relax.FastRelax: {0} CMD: min -227.591 3.57757 3.57757 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.591 3.57757 3.57757 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.764 3.57757 3.57757 0.55 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 -187.967 3.57757 3.57757 0.55 protocols.relax.FastRelax: {0} CMD: min -203.164 3.66811 3.66811 0.55 protocols.relax.FastRelax: {0} MRP: 2 -203.164 -203.413 3.68211 3.68211 protocols.relax.FastRelax: {0} CMD: accept_to_best -203.164 3.66811 3.66811 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -203.164 3.66811 3.66811 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.164 3.66811 3.66811 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.978 3.66811 3.66811 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 -275.442 3.66811 3.66811 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.381 3.66811 3.66811 0.02805 protocols.relax.FastRelax: {0} CMD: min -310.194 4.35731 4.35731 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.194 4.35731 4.35731 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.171 4.35731 4.35731 0.14575 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 -222.856 4.35731 4.35731 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.85 4.35731 4.35731 0.154 protocols.relax.FastRelax: {0} CMD: min -257.559 3.94432 3.94432 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.559 3.94432 3.94432 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.913 3.94432 3.94432 0.30745 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 -221.088 3.94432 3.94432 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.197 3.94432 3.94432 0.31955 protocols.relax.FastRelax: {0} CMD: min -224.427 3.86942 3.86942 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.427 3.86942 3.86942 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.505 3.86942 3.86942 0.55 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 -184.089 3.86942 3.86942 0.55 protocols.relax.FastRelax: {0} CMD: min -204.3 3.78611 3.78611 0.55 protocols.relax.FastRelax: {0} MRP: 3 -204.3 -204.3 3.78611 3.78611 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.3 3.78611 3.78611 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.3 3.78611 3.78611 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.3 3.78611 3.78611 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.432 3.78611 3.78611 0.022 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 -275.033 3.78611 3.78611 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.094 3.78611 3.78611 0.02805 protocols.relax.FastRelax: {0} CMD: min -305.384 4.53894 4.53894 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -305.384 4.53894 4.53894 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.404 4.53894 4.53894 0.14575 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 -230.342 4.53894 4.53894 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.862 4.53894 4.53894 0.154 protocols.relax.FastRelax: {0} CMD: min -255.673 4.03327 4.03327 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.673 4.03327 4.03327 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.618 4.03327 4.03327 0.30745 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 -219.512 4.03327 4.03327 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.642 4.03327 4.03327 0.31955 protocols.relax.FastRelax: {0} CMD: min -225.636 3.92933 3.92933 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.636 3.92933 3.92933 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.688 3.92933 3.92933 0.55 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 -185.743 3.92933 3.92933 0.55 protocols.relax.FastRelax: {0} CMD: min -207.979 3.85003 3.85003 0.55 protocols.relax.FastRelax: {0} MRP: 4 -207.979 -207.979 3.85003 3.85003 protocols.relax.FastRelax: {0} CMD: accept_to_best -207.979 3.85003 3.85003 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -207.979 3.85003 3.85003 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_42.pdb protocols.relax.FastRelax: {0} CMD: repeat 71290.1 14.3363 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71290.1 14.3363 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7259.1 14.3363 0 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 -123.16 14.3363 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -111.158 14.3363 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -253.721 13.9914 2.79896 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.721 13.9914 2.79896 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.65 13.9914 2.79896 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2552 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -124.213 13.9914 2.79896 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -117.929 13.9914 2.79896 0.154 protocols.relax.FastRelax: {0} CMD: min -218.736 13.1095 6.64941 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.736 13.1095 6.64941 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.093 13.1095 6.64941 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2558 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -184.067 13.1095 6.64941 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.349 13.1095 6.64941 0.31955 protocols.relax.FastRelax: {0} CMD: min -191.035 13.3038 6.54052 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.035 13.3038 6.54052 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.815 13.3038 6.54052 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2552 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -153.256 13.3038 6.54052 0.55 protocols.relax.FastRelax: {0} CMD: min -186.108 13.6172 6.47178 0.55 protocols.relax.FastRelax: {0} MRP: 0 -186.108 -186.108 13.6172 6.47178 protocols.relax.FastRelax: {0} CMD: accept_to_best -186.108 13.6172 6.47178 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -186.108 13.6172 6.47178 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -186.108 13.6172 6.47178 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.479 13.6172 6.47178 0.022 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 -257.234 13.6172 6.47178 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.264 13.6172 6.47178 0.02805 protocols.relax.FastRelax: {0} CMD: min -296.716 13.1468 6.60156 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.716 13.1468 6.60156 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.397 13.1468 6.60156 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 -204.499 13.1468 6.60156 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.879 13.1468 6.60156 0.154 protocols.relax.FastRelax: {0} CMD: min -243.821 13.1731 7.24537 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.821 13.1731 7.24537 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.531 13.1731 7.24537 0.30745 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 -206.743 13.1731 7.24537 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.786 13.1731 7.24537 0.31955 protocols.relax.FastRelax: {0} CMD: min -214.692 13.3632 6.92636 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.692 13.3632 6.92636 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.63 13.3632 6.92636 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2534 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -175.91 13.3632 6.92636 0.55 protocols.relax.FastRelax: {0} CMD: min -196.846 13.3649 7.28117 0.55 protocols.relax.FastRelax: {0} MRP: 1 -196.846 -196.846 13.3649 7.28117 protocols.relax.FastRelax: {0} CMD: accept_to_best -196.846 13.3649 7.28117 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -196.846 13.3649 7.28117 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.846 13.3649 7.28117 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.792 13.3649 7.28117 0.022 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 -265.664 13.3649 7.28117 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.237 13.3649 7.28117 0.02805 protocols.relax.FastRelax: {0} CMD: min -287.681 13.2208 7.52396 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -287.681 13.2208 7.52396 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.172 13.2208 7.52396 0.14575 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 -225.734 13.2208 7.52396 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.741 13.2208 7.52396 0.154 protocols.relax.FastRelax: {0} CMD: min -249.759 13.254 7.68927 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.759 13.254 7.68927 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.602 13.254 7.68927 0.30745 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 -215.973 13.254 7.68927 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.372 13.254 7.68927 0.31955 protocols.relax.FastRelax: {0} CMD: min -221.002 13.3392 7.40278 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.002 13.3392 7.40278 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.688 13.3392 7.40278 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2706 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -186.075 13.3392 7.40278 0.55 protocols.relax.FastRelax: {0} CMD: min -200.975 13.2467 7.64149 0.55 protocols.relax.FastRelax: {0} MRP: 2 -200.975 -200.975 13.2467 7.64149 protocols.relax.FastRelax: {0} CMD: accept_to_best -200.975 13.2467 7.64149 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -200.975 13.2467 7.64149 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.975 13.2467 7.64149 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.012 13.2467 7.64149 0.022 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 -266.791 13.2467 7.64149 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.471 13.2467 7.64149 0.02805 protocols.relax.FastRelax: {0} CMD: min -301.555 13.1218 7.69375 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.555 13.1218 7.69375 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.13 13.1218 7.69375 0.14575 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 -220.378 13.1218 7.69375 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.419 13.1218 7.69375 0.154 protocols.relax.FastRelax: {0} CMD: min -254.494 13.2617 7.59412 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.494 13.2617 7.59412 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.467 13.2617 7.59412 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2727 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.044 13.2617 7.59412 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.383 13.2617 7.59412 0.31955 protocols.relax.FastRelax: {0} CMD: min -224.919 13.4112 7.35149 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.919 13.4112 7.35149 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.048 13.4112 7.35149 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2571 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -189.067 13.4112 7.35149 0.55 protocols.relax.FastRelax: {0} CMD: min -203.182 13.252 7.95491 0.55 protocols.relax.FastRelax: {0} MRP: 3 -203.182 -203.182 13.252 7.95491 protocols.relax.FastRelax: {0} CMD: accept_to_best -203.182 13.252 7.95491 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -203.182 13.252 7.95491 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.182 13.252 7.95491 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.943 13.252 7.95491 0.022 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 -269.985 13.252 7.95491 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.144 13.252 7.95491 0.02805 protocols.relax.FastRelax: {0} CMD: min -302.515 13.062 8.32314 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.515 13.062 8.32314 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.196 13.062 8.32314 0.14575 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 -216.939 13.062 8.32314 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.636 13.062 8.32314 0.154 protocols.relax.FastRelax: {0} CMD: min -257.451 13.1571 8.50383 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.451 13.1571 8.50383 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.81 13.1571 8.50383 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2827 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 13.1571 8.50383 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.695 13.1571 8.50383 0.31955 protocols.relax.FastRelax: {0} CMD: min -226.535 13.196 8.41364 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.535 13.196 8.41364 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.407 13.196 8.41364 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2517 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -188.101 13.196 8.41364 0.55 protocols.relax.FastRelax: {0} CMD: min -207.68 13.2675 8.27392 0.55 protocols.relax.FastRelax: {0} MRP: 4 -207.68 -207.68 13.2675 8.27392 protocols.relax.FastRelax: {0} CMD: accept_to_best -207.68 13.2675 8.27392 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -207.68 13.2675 8.27392 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_38.pdb protocols.relax.FastRelax: {0} CMD: repeat 64958.3 13.3789 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 64958.3 13.3789 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7043.81 13.3789 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2753 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 69.5456 13.3789 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 86.0489 13.3789 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -84.1739 13.6329 5.01846 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -84.1739 13.6329 5.01846 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 898.942 13.6329 5.01846 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3160 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -125.656 13.6329 5.01846 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -116.409 13.6329 5.01846 0.154 protocols.relax.FastRelax: {0} CMD: min -236.75 13.8463 4.61552 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.75 13.8463 4.61552 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.507 13.8463 4.61552 0.30745 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 -196.92 13.8463 4.61552 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.213 13.8463 4.61552 0.31955 protocols.relax.FastRelax: {0} CMD: min -210.021 13.8719 4.49298 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.021 13.8719 4.49298 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.483 13.8719 4.49298 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 -165.973 13.8719 4.49298 0.55 protocols.relax.FastRelax: {0} CMD: min -217.281 14.3135 6.5008 0.55 protocols.relax.FastRelax: {0} MRP: 0 -217.281 -217.281 14.3135 6.5008 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.281 14.3135 6.5008 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.281 14.3135 6.5008 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.281 14.3135 6.5008 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.316 14.3135 6.5008 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2779 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -302.221 14.3135 6.5008 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.052 14.3135 6.5008 0.02805 protocols.relax.FastRelax: {0} CMD: min -339.396 14.1289 7.18848 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -339.396 14.1289 7.18848 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.877 14.1289 7.18848 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2818 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -248.63 14.1289 7.18848 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.719 14.1289 7.18848 0.154 protocols.relax.FastRelax: {0} CMD: min -282.474 14.1473 6.81627 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.474 14.1473 6.81627 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.762 14.1473 6.81627 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 -242.447 14.1473 6.81627 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.256 14.1473 6.81627 0.31955 protocols.relax.FastRelax: {0} CMD: min -250.708 14.1837 6.81055 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.708 14.1837 6.81055 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.839 14.1837 6.81055 0.55 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 -209.956 14.1837 6.81055 0.55 protocols.relax.FastRelax: {0} CMD: min -236.438 14.0099 7.67519 0.55 protocols.relax.FastRelax: {0} MRP: 1 -236.438 -236.438 14.0099 7.67519 protocols.relax.FastRelax: {0} CMD: accept_to_best -236.438 14.0099 7.67519 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -236.438 14.0099 7.67519 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.438 14.0099 7.67519 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.733 14.0099 7.67519 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3216 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -320.66 14.0099 7.67519 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.283 14.0099 7.67519 0.02805 protocols.relax.FastRelax: {0} CMD: min -369.387 13.7502 7.82319 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -369.387 13.7502 7.82319 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.794 13.7502 7.82319 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3340 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -245.84 13.7502 7.82319 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.954 13.7502 7.82319 0.154 protocols.relax.FastRelax: {0} CMD: min -296.156 13.9475 8.22156 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.156 13.9475 8.22156 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.187 13.9475 8.22156 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3155 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -254.393 13.9475 8.22156 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.036 13.9475 8.22156 0.31955 protocols.relax.FastRelax: {0} CMD: min -260.868 13.9744 8.09994 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.868 13.9744 8.09994 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.728 13.9744 8.09994 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3030 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -217.638 13.9744 8.09994 0.55 protocols.relax.FastRelax: {0} CMD: min -245.926 14.126 8.57899 0.55 protocols.relax.FastRelax: {0} MRP: 2 -245.926 -245.926 14.126 8.57899 protocols.relax.FastRelax: {0} CMD: accept_to_best -245.926 14.126 8.57899 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -245.926 14.126 8.57899 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.926 14.126 8.57899 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -309.837 14.126 8.57899 0.022 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 -330.324 14.126 8.57899 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -327.513 14.126 8.57899 0.02805 protocols.relax.FastRelax: {0} CMD: min -375.703 13.8934 8.79905 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -375.703 13.8934 8.79905 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.651 13.8934 8.79905 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3287 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -255.132 13.8934 8.79905 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.894 13.8934 8.79905 0.154 protocols.relax.FastRelax: {0} CMD: min -309.339 14.0471 8.24379 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.339 14.0471 8.24379 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.297 14.0471 8.24379 0.30745 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 -262.609 14.0471 8.24379 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.929 14.0471 8.24379 0.31955 protocols.relax.FastRelax: {0} CMD: min -275.207 14.15 8.15651 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.207 14.15 8.15651 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.451 14.15 8.15651 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 -231.676 14.15 8.15651 0.55 protocols.relax.FastRelax: {0} CMD: min -254.459 14.0787 7.95449 0.55 protocols.relax.FastRelax: {0} MRP: 3 -254.459 -254.459 14.0787 7.95449 protocols.relax.FastRelax: {0} CMD: accept_to_best -254.459 14.0787 7.95449 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -254.459 14.0787 7.95449 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.459 14.0787 7.95449 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -320.139 14.0787 7.95449 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3287 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -334.189 14.0787 7.95449 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -330.899 14.0787 7.95449 0.02805 protocols.relax.FastRelax: {0} CMD: min -374.981 13.9893 8.21183 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -374.981 13.9893 8.21183 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.252 13.9893 8.21183 0.14575 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 -277.432 13.9893 8.21183 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.53 13.9893 8.21183 0.154 protocols.relax.FastRelax: {0} CMD: min -317.182 13.9717 7.88002 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.182 13.9717 7.88002 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.932 13.9717 7.88002 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3109 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -274.709 13.9717 7.88002 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.358 13.9717 7.88002 0.31955 protocols.relax.FastRelax: {0} CMD: min -281.681 13.9569 7.83652 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.681 13.9569 7.83652 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.027 13.9569 7.83652 0.55 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 -239.629 13.9569 7.83652 0.55 protocols.relax.FastRelax: {0} CMD: min -259.659 13.9299 7.84778 0.55 protocols.relax.FastRelax: {0} MRP: 4 -259.659 -259.659 13.9299 7.84778 protocols.relax.FastRelax: {0} CMD: accept_to_best -259.659 13.9299 7.84778 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -259.659 13.9299 7.84778 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_17.pdb protocols.relax.FastRelax: {0} CMD: repeat 72027.1 14.4626 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72027.1 14.4626 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7050.17 14.4626 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2196 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -9.5297 14.4626 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 33.0597 14.4626 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -170.728 17.7776 15.8161 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -170.728 17.7776 15.8161 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -57.5239 17.7776 15.8161 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1996 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -115.32 17.7776 15.8161 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -111.609 17.7776 15.8161 0.154 protocols.relax.FastRelax: {0} CMD: min -157.222 15.9444 8.65834 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -157.222 15.9444 8.65834 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.55 15.9444 8.65834 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1875 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -129.445 15.9444 8.65834 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.997 15.9444 8.65834 0.31955 protocols.relax.FastRelax: {0} CMD: min -135.375 15.988 8.46043 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -135.375 15.988 8.46043 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -102.266 15.988 8.46043 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1852 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -102.567 15.988 8.46043 0.55 protocols.relax.FastRelax: {0} CMD: min -138.451 17.3483 12.4072 0.55 protocols.relax.FastRelax: {0} MRP: 0 -138.451 -138.451 17.3483 12.4072 protocols.relax.FastRelax: {0} CMD: accept_to_best -138.451 17.3483 12.4072 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -138.451 17.3483 12.4072 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -138.451 17.3483 12.4072 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.866 17.3483 12.4072 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1914 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -201.236 17.3483 12.4072 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.756 17.3483 12.4072 0.02805 protocols.relax.FastRelax: {0} CMD: min -199.041 17.3498 12.4282 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.041 17.3498 12.4282 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -151.359 17.3498 12.4282 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1871 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -180.245 17.3498 12.4282 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.124 17.3498 12.4282 0.154 protocols.relax.FastRelax: {0} CMD: min -179.211 17.3504 12.4324 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -179.211 17.3504 12.4324 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.352 17.3504 12.4324 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1859 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -158.505 17.3504 12.4324 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -156.92 17.3504 12.4324 0.31955 protocols.relax.FastRelax: {0} CMD: min -161.644 16.9723 11.6026 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -161.644 16.9723 11.6026 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -130.796 16.9723 11.6026 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1833 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -130.701 16.9723 11.6026 0.55 protocols.relax.FastRelax: {0} CMD: min -141.799 17.0587 12.5809 0.55 protocols.relax.FastRelax: {0} MRP: 1 -141.799 -141.799 17.0587 12.5809 protocols.relax.FastRelax: {0} CMD: accept_to_best -141.799 17.0587 12.5809 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -141.799 17.0587 12.5809 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -141.799 17.0587 12.5809 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.883 17.0587 12.5809 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1911 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -204.971 17.0587 12.5809 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.91 17.0587 12.5809 0.02805 protocols.relax.FastRelax: {0} CMD: min -204.293 17.07 12.6754 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.293 17.07 12.6754 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -143.948 17.07 12.6754 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1864 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 17.07 12.6754 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.197 17.07 12.6754 0.154 protocols.relax.FastRelax: {0} CMD: min -180.888 17.0405 12.5956 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.888 17.0405 12.5956 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.379 17.0405 12.5956 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1844 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -159.777 17.0405 12.5956 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.163 17.0405 12.5956 0.31955 protocols.relax.FastRelax: {0} CMD: min -158.532 17.0356 12.5818 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -158.532 17.0356 12.5818 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.173 17.0356 12.5818 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1827 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -128.525 17.0356 12.5818 0.55 protocols.relax.FastRelax: {0} CMD: min -150.239 16.968 12.2156 0.55 protocols.relax.FastRelax: {0} MRP: 2 -150.239 -150.239 16.968 12.2156 protocols.relax.FastRelax: {0} CMD: accept_to_best -150.239 16.968 12.2156 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -150.239 16.968 12.2156 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -150.239 16.968 12.2156 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.013 16.968 12.2156 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1909 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.022 16.968 12.2156 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.024 16.968 12.2156 0.02805 protocols.relax.FastRelax: {0} CMD: min -242.69 16.8002 12.182 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.69 16.8002 12.182 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.729 16.8002 12.182 0.14575 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 -183.96 16.8002 12.182 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.166 16.8002 12.182 0.154 protocols.relax.FastRelax: {0} CMD: min -205.928 17.1117 13.0547 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.928 17.1117 13.0547 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.959 17.1117 13.0547 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1996 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -175.178 17.1117 13.0547 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.773 17.1117 13.0547 0.31955 protocols.relax.FastRelax: {0} CMD: min -173.131 17.1192 13.0709 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -173.131 17.1192 13.0709 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.579 17.1192 13.0709 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1839 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -129.154 17.1192 13.0709 0.55 protocols.relax.FastRelax: {0} CMD: min -49.3147 17.8109 16.5842 0.55 protocols.relax.FastRelax: {0} MRP: 3 -49.3147 -150.239 16.968 12.2156 protocols.relax.FastRelax: {0} CMD: accept_to_best -49.3147 17.8109 16.5842 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -49.3147 17.8109 16.5842 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -49.3147 17.8109 16.5842 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.266 17.8109 16.5842 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1892 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.535 17.8109 16.5842 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.439 17.8109 16.5842 0.02805 protocols.relax.FastRelax: {0} CMD: min -262.775 17.9952 17.5648 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.775 17.9952 17.5648 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.079 17.9952 17.5648 0.14575 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 -193.064 17.9952 17.5648 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.854 17.9952 17.5648 0.154 protocols.relax.FastRelax: {0} CMD: min -220.139 17.8069 17.2032 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.139 17.8069 17.2032 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.62 17.8069 17.2032 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1984 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -188.15 17.8069 17.2032 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.621 17.8069 17.2032 0.31955 protocols.relax.FastRelax: {0} CMD: min -193.125 17.8389 17.073 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.125 17.8389 17.073 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.378 17.8389 17.073 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1951 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -158.431 17.8389 17.073 0.55 protocols.relax.FastRelax: {0} CMD: min -170.189 17.7889 16.8271 0.55 protocols.relax.FastRelax: {0} MRP: 4 -170.189 -170.189 17.7889 16.8271 protocols.relax.FastRelax: {0} CMD: accept_to_best -170.189 17.7889 16.8271 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -170.189 17.7889 16.8271 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_10.pdb protocols.relax.FastRelax: {0} CMD: repeat 72460.9 13.2865 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72460.9 13.2865 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7534.75 13.2865 0 0.022 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 213.985 13.2865 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 263.015 13.2865 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -253.139 12.2296 3.84314 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.139 12.2296 3.84314 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -84.6722 12.2296 3.84314 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 -118.918 12.2296 3.84314 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -110.49 12.2296 3.84314 0.154 protocols.relax.FastRelax: {0} CMD: min -210.591 11.8419 3.74611 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.591 11.8419 3.74611 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.252 11.8419 3.74611 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2372 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -164.965 11.8419 3.74611 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.301 11.8419 3.74611 0.31955 protocols.relax.FastRelax: {0} CMD: min -169.502 11.9707 3.6967 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -169.502 11.9707 3.6967 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.145 11.9707 3.6967 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 -120.506 11.9707 3.6967 0.55 protocols.relax.FastRelax: {0} CMD: min -164.521 12.4847 5.06513 0.55 protocols.relax.FastRelax: {0} MRP: 0 -164.521 -164.521 12.4847 5.06513 protocols.relax.FastRelax: {0} CMD: accept_to_best -164.521 12.4847 5.06513 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -164.521 12.4847 5.06513 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -164.521 12.4847 5.06513 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.116 12.4847 5.06513 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2544 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -247.354 12.4847 5.06513 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.244 12.4847 5.06513 0.02805 protocols.relax.FastRelax: {0} CMD: min -289.065 12.1306 5.31916 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.065 12.1306 5.31916 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.514 12.1306 5.31916 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2464 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -187.88 12.1306 5.31916 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.272 12.1306 5.31916 0.154 protocols.relax.FastRelax: {0} CMD: min -246.676 12.2424 5.82214 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.676 12.2424 5.82214 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.473 12.2424 5.82214 0.30745 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 -198.138 12.2424 5.82214 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.292 12.2424 5.82214 0.31955 protocols.relax.FastRelax: {0} CMD: min -208.686 12.3724 5.99378 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.686 12.3724 5.99378 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.951 12.3724 5.99378 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2314 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -160.258 12.3724 5.99378 0.55 protocols.relax.FastRelax: {0} CMD: min -184.313 12.8891 6.27468 0.55 protocols.relax.FastRelax: {0} MRP: 1 -184.313 -184.313 12.8891 6.27468 protocols.relax.FastRelax: {0} CMD: accept_to_best -184.313 12.8891 6.27468 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -184.313 12.8891 6.27468 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -184.313 12.8891 6.27468 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.812 12.8891 6.27468 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2584 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -265.337 12.8891 6.27468 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.854 12.8891 6.27468 0.02805 protocols.relax.FastRelax: {0} CMD: min -322.13 13.102 6.52949 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -322.13 13.102 6.52949 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.001 13.102 6.52949 0.14575 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 -171.454 13.102 6.52949 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.734 13.102 6.52949 0.154 protocols.relax.FastRelax: {0} CMD: min -248.106 13.31 6.30405 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.106 13.31 6.30405 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.478 13.31 6.30405 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2512 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -194.471 13.31 6.30405 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.233 13.31 6.30405 0.31955 protocols.relax.FastRelax: {0} CMD: min -204.617 13.4061 6.30048 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.617 13.4061 6.30048 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.241 13.4061 6.30048 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2424 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -149.924 13.4061 6.30048 0.55 protocols.relax.FastRelax: {0} CMD: min -187.681 13.3387 5.77706 0.55 protocols.relax.FastRelax: {0} MRP: 2 -187.681 -187.681 13.3387 5.77706 protocols.relax.FastRelax: {0} CMD: accept_to_best -187.681 13.3387 5.77706 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -187.681 13.3387 5.77706 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -187.681 13.3387 5.77706 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.983 13.3387 5.77706 0.022 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 -275.995 13.3387 5.77706 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.319 13.3387 5.77706 0.02805 protocols.relax.FastRelax: {0} CMD: min -344.474 13.2668 6.09689 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -344.474 13.2668 6.09689 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.622 13.2668 6.09689 0.14575 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 -186.588 13.2668 6.09689 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.567 13.2668 6.09689 0.154 protocols.relax.FastRelax: {0} CMD: min -268.291 13.3054 5.96582 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.291 13.3054 5.96582 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.24 13.3054 5.96582 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2436 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -215.43 13.3054 5.96582 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.286 13.3054 5.96582 0.31955 protocols.relax.FastRelax: {0} CMD: min -225.39 13.3908 6.02153 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.39 13.3908 6.02153 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.858 13.3908 6.02153 0.55 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 -176.102 13.3908 6.02153 0.55 protocols.relax.FastRelax: {0} CMD: min -195.165 13.5011 6.25551 0.55 protocols.relax.FastRelax: {0} MRP: 3 -195.165 -195.165 13.5011 6.25551 protocols.relax.FastRelax: {0} CMD: accept_to_best -195.165 13.5011 6.25551 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -195.165 13.5011 6.25551 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.165 13.5011 6.25551 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.919 13.5011 6.25551 0.022 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 -281.285 13.5011 6.25551 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.399 13.5011 6.25551 0.02805 protocols.relax.FastRelax: {0} CMD: min -339.524 13.3153 6.48725 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -339.524 13.3153 6.48725 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.105 13.3153 6.48725 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2675 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -200.547 13.3153 6.48725 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.362 13.3153 6.48725 0.154 protocols.relax.FastRelax: {0} CMD: min -260.128 13.3484 6.30028 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.128 13.3484 6.30028 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.96 13.3484 6.30028 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2503 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.64 13.3484 6.30028 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.714 13.3484 6.30028 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.407 13.4417 6.4236 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.407 13.4417 6.4236 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.502 13.4417 6.4236 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2383 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -172.776 13.4417 6.4236 0.55 protocols.relax.FastRelax: {0} CMD: min -194.987 13.5554 6.38684 0.55 protocols.relax.FastRelax: {0} MRP: 4 -194.987 -195.165 13.5011 6.25551 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.987 13.5554 6.38684 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.987 13.5554 6.38684 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_15.pdb protocols.relax.FastRelax: {0} CMD: repeat 70195.4 16.8396 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70195.4 16.8396 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7403.72 16.8396 0 0.022 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 112.751 16.8396 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 137.153 16.8396 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -123.596 16.5188 3.29307 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -123.596 16.5188 3.29307 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 694.927 16.5188 3.29307 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 -157.818 16.5188 3.29307 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.413 16.5188 3.29307 0.154 protocols.relax.FastRelax: {0} CMD: min -239.355 16.6271 3.23665 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.355 16.6271 3.23665 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.348 16.6271 3.23665 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 -196.149 16.6271 3.23665 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.648 16.6271 3.23665 0.31955 protocols.relax.FastRelax: {0} CMD: min -202.58 16.6584 3.21024 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.58 16.6584 3.21024 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.612 16.6584 3.21024 0.55 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 -162.799 16.6584 3.21024 0.55 protocols.relax.FastRelax: {0} CMD: min -209.707 16.6297 3.31095 0.55 protocols.relax.FastRelax: {0} MRP: 0 -209.707 -209.707 16.6297 3.31095 protocols.relax.FastRelax: {0} CMD: accept_to_best -209.707 16.6297 3.31095 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -209.707 16.6297 3.31095 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.707 16.6297 3.31095 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.675 16.6297 3.31095 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 -278.693 16.6297 3.31095 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.925 16.6297 3.31095 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.773 16.4826 3.45742 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.773 16.4826 3.45742 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.115 16.4826 3.45742 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2892 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -221.602 16.4826 3.45742 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.017 16.4826 3.45742 0.154 protocols.relax.FastRelax: {0} CMD: min -274.974 16.4715 3.4282 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.974 16.4715 3.4282 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.537 16.4715 3.4282 0.30745 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 -237.229 16.4715 3.4282 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.247 16.4715 3.4282 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.905 16.502 3.34308 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.905 16.502 3.34308 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.843 16.502 3.34308 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2562 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -201.339 16.502 3.34308 0.55 protocols.relax.FastRelax: {0} CMD: min -224.863 16.5077 3.60832 0.55 protocols.relax.FastRelax: {0} MRP: 1 -224.863 -224.863 16.5077 3.60832 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.863 16.5077 3.60832 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.863 16.5077 3.60832 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.863 16.5077 3.60832 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.187 16.5077 3.60832 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2826 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -293.716 16.5077 3.60832 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.546 16.5077 3.60832 0.02805 protocols.relax.FastRelax: {0} CMD: min -335.583 16.4255 3.87878 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -335.583 16.4255 3.87878 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.967 16.4255 3.87878 0.14575 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 -229.469 16.4255 3.87878 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.533 16.4255 3.87878 0.154 protocols.relax.FastRelax: {0} CMD: min -281.109 16.4684 3.64607 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.109 16.4684 3.64607 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.583 16.4684 3.64607 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 -243.127 16.4684 3.64607 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.108 16.4684 3.64607 0.31955 protocols.relax.FastRelax: {0} CMD: min -251.821 16.486 3.63936 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.821 16.486 3.63936 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.8 16.486 3.63936 0.55 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 -214.875 16.486 3.63936 0.55 protocols.relax.FastRelax: {0} CMD: min -228.689 16.4512 3.67512 0.55 protocols.relax.FastRelax: {0} MRP: 2 -228.689 -228.689 16.4512 3.67512 protocols.relax.FastRelax: {0} CMD: accept_to_best -228.689 16.4512 3.67512 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -228.689 16.4512 3.67512 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.689 16.4512 3.67512 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.135 16.4512 3.67512 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2904 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -298.185 16.4512 3.67512 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.325 16.4512 3.67512 0.02805 protocols.relax.FastRelax: {0} CMD: min -345.513 16.383 3.96537 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -345.513 16.383 3.96537 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.351 16.383 3.96537 0.14575 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 -242.172 16.383 3.96537 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.356 16.383 3.96537 0.154 protocols.relax.FastRelax: {0} CMD: min -291.591 16.3959 3.78604 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.591 16.3959 3.78604 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.162 16.3959 3.78604 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2767 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -252.533 16.3959 3.78604 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.426 16.3959 3.78604 0.31955 protocols.relax.FastRelax: {0} CMD: min -259.793 16.444 3.71571 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.793 16.444 3.71571 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.439 16.444 3.71571 0.55 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 -220.582 16.444 3.71571 0.55 protocols.relax.FastRelax: {0} CMD: min -237.561 16.6699 3.93544 0.55 protocols.relax.FastRelax: {0} MRP: 3 -237.561 -237.561 16.6699 3.93544 protocols.relax.FastRelax: {0} CMD: accept_to_best -237.561 16.6699 3.93544 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -237.561 16.6699 3.93544 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.561 16.6699 3.93544 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.226 16.6699 3.93544 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2931 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.746 16.6699 3.93544 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.188 16.6699 3.93544 0.02805 protocols.relax.FastRelax: {0} CMD: min -349.271 16.5668 4.25289 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -349.271 16.5668 4.25289 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.81 16.5668 4.25289 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 -243.554 16.5668 4.25289 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.765 16.5668 4.25289 0.154 protocols.relax.FastRelax: {0} CMD: min -290.889 16.665 4.09297 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.889 16.665 4.09297 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.041 16.665 4.09297 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 -251.515 16.665 4.09297 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.395 16.665 4.09297 0.31955 protocols.relax.FastRelax: {0} CMD: min -260.922 16.6861 4.09755 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.922 16.6861 4.09755 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.723 16.6861 4.09755 0.55 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 -223.271 16.6861 4.09755 0.55 protocols.relax.FastRelax: {0} CMD: min -239.452 16.7504 4.26543 0.55 protocols.relax.FastRelax: {0} MRP: 4 -239.452 -239.452 16.7504 4.26543 protocols.relax.FastRelax: {0} CMD: accept_to_best -239.452 16.7504 4.26543 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -239.452 16.7504 4.26543 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_1.pdb protocols.relax.FastRelax: {0} CMD: repeat 69250.2 18.6584 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69250.2 18.6584 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6998.64 18.6584 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 -99.8428 18.6584 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -79.0589 18.6584 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -284.922 18.9751 3.04848 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.922 18.9751 3.04848 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -127.749 18.9751 3.04848 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2826 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -147.282 18.9751 3.04848 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.214 18.9751 3.04848 0.154 protocols.relax.FastRelax: {0} CMD: min -225.101 18.6158 3.00242 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.101 18.6158 3.00242 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.738 18.6158 3.00242 0.30745 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 -183.821 18.6158 3.00242 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.203 18.6158 3.00242 0.31955 protocols.relax.FastRelax: {0} CMD: min -193.007 18.6975 3.13526 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.007 18.6975 3.13526 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -145.53 18.6975 3.13526 0.55 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 -145.609 18.6975 3.13526 0.55 protocols.relax.FastRelax: {0} CMD: min -200.196 18.065 3.64828 0.55 protocols.relax.FastRelax: {0} MRP: 0 -200.196 -200.196 18.065 3.64828 protocols.relax.FastRelax: {0} CMD: accept_to_best -200.196 18.065 3.64828 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -200.196 18.065 3.64828 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.196 18.065 3.64828 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.061 18.065 3.64828 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2977 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -284.518 18.065 3.64828 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.973 18.065 3.64828 0.02805 protocols.relax.FastRelax: {0} CMD: min -346.85 17.3367 3.58614 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -346.85 17.3367 3.58614 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.135 17.3367 3.58614 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3202 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -198.223 17.3367 3.58614 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.849 17.3367 3.58614 0.154 protocols.relax.FastRelax: {0} CMD: min -289.206 17.1143 3.95136 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.206 17.1143 3.95136 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.886 17.1143 3.95136 0.30745 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 -244.005 17.1143 3.95136 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.368 17.1143 3.95136 0.31955 protocols.relax.FastRelax: {0} CMD: min -248.106 17.1362 3.94081 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.106 17.1362 3.94081 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.061 17.1362 3.94081 0.55 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 -194.936 17.1362 3.94081 0.55 protocols.relax.FastRelax: {0} CMD: min -229.863 17.1998 4.01262 0.55 protocols.relax.FastRelax: {0} MRP: 1 -229.863 -229.863 17.1998 4.01262 protocols.relax.FastRelax: {0} CMD: accept_to_best -229.863 17.1998 4.01262 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -229.863 17.1998 4.01262 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.863 17.1998 4.01262 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.86 17.1998 4.01262 0.022 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 -310.094 17.1998 4.01262 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.83 17.1998 4.01262 0.02805 protocols.relax.FastRelax: {0} CMD: min -372.32 16.8611 4.34356 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -372.32 16.8611 4.34356 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.422 16.8611 4.34356 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3420 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -229.24 16.8611 4.34356 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.365 16.8611 4.34356 0.154 protocols.relax.FastRelax: {0} CMD: min -289.116 17.0451 4.25991 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.116 17.0451 4.25991 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.838 17.0451 4.25991 0.30745 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 -236.925 17.0451 4.25991 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.761 17.0451 4.25991 0.31955 protocols.relax.FastRelax: {0} CMD: min -257.251 17.0219 4.2512 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.251 17.0219 4.2512 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.298 17.0219 4.2512 0.55 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 -213.558 17.0219 4.2512 0.55 protocols.relax.FastRelax: {0} CMD: min -232.553 17.1603 4.19257 0.55 protocols.relax.FastRelax: {0} MRP: 2 -232.553 -232.553 17.1603 4.19257 protocols.relax.FastRelax: {0} CMD: accept_to_best -232.553 17.1603 4.19257 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -232.553 17.1603 4.19257 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.553 17.1603 4.19257 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.419 17.1603 4.19257 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3301 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -312.602 17.1603 4.19257 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -310.519 17.1603 4.19257 0.02805 protocols.relax.FastRelax: {0} CMD: min -375.529 16.8452 4.40564 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -375.529 16.8452 4.40564 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.673 16.8452 4.40564 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3543 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.901 16.8452 4.40564 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.616 16.8452 4.40564 0.154 protocols.relax.FastRelax: {0} CMD: min -301.372 16.9983 4.37045 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.372 16.9983 4.37045 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.404 16.9983 4.37045 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 -252.582 16.9983 4.37045 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.742 16.9983 4.37045 0.31955 protocols.relax.FastRelax: {0} CMD: min -260.402 17.0326 4.34032 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.402 17.0326 4.34032 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.469 17.0326 4.34032 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 -210.555 17.0326 4.34032 0.55 protocols.relax.FastRelax: {0} CMD: min -234.017 17.185 4.18573 0.55 protocols.relax.FastRelax: {0} MRP: 3 -234.017 -234.017 17.185 4.18573 protocols.relax.FastRelax: {0} CMD: accept_to_best -234.017 17.185 4.18573 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -234.017 17.185 4.18573 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.017 17.185 4.18573 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -304.664 17.185 4.18573 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3284 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -313.553 17.185 4.18573 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -310.76 17.185 4.18573 0.02805 protocols.relax.FastRelax: {0} CMD: min -364.171 16.8602 4.43563 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -364.171 16.8602 4.43563 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.734 16.8602 4.43563 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3489 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -247.763 16.8602 4.43563 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.131 16.8602 4.43563 0.154 protocols.relax.FastRelax: {0} CMD: min -301.42 17.0069 4.38897 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.42 17.0069 4.38897 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.474 17.0069 4.38897 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 -252.865 17.0069 4.38897 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.044 17.0069 4.38897 0.31955 protocols.relax.FastRelax: {0} CMD: min -262.226 17.0323 4.25864 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.226 17.0323 4.25864 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.569 17.0323 4.25864 0.55 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 -215.706 17.0323 4.25864 0.55 protocols.relax.FastRelax: {0} CMD: min -233.599 17.1842 4.18093 0.55 protocols.relax.FastRelax: {0} MRP: 4 -233.599 -234.017 17.185 4.18573 protocols.relax.FastRelax: {0} CMD: accept_to_best -233.599 17.1842 4.18093 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -233.599 17.1842 4.18093 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_36.pdb protocols.relax.FastRelax: {0} CMD: repeat 68706.6 14.1816 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68706.6 14.1816 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7170.88 14.1816 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2436 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -110.799 14.1816 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -93.8917 14.1816 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -239.057 13.6125 3.77947 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.057 13.6125 3.77947 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -129.189 13.6125 3.77947 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2427 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -145.713 13.6125 3.77947 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -139.422 13.6125 3.77947 0.154 protocols.relax.FastRelax: {0} CMD: min -209.876 13.5064 3.76835 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.876 13.5064 3.76835 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.323 13.5064 3.76835 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 -173.862 13.5064 3.76835 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.949 13.5064 3.76835 0.31955 protocols.relax.FastRelax: {0} CMD: min -179.527 13.5743 3.70637 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -179.527 13.5743 3.70637 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.767 13.5743 3.70637 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2360 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -139.073 13.5743 3.70637 0.55 protocols.relax.FastRelax: {0} CMD: min -170.314 13.6006 4.4007 0.55 protocols.relax.FastRelax: {0} MRP: 0 -170.314 -170.314 13.6006 4.4007 protocols.relax.FastRelax: {0} CMD: accept_to_best -170.314 13.6006 4.4007 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -170.314 13.6006 4.4007 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -170.314 13.6006 4.4007 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.125 13.6006 4.4007 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2449 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -248.468 13.6006 4.4007 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.511 13.6006 4.4007 0.02805 protocols.relax.FastRelax: {0} CMD: min -296.359 13.3584 4.75102 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.359 13.3584 4.75102 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.741 13.3584 4.75102 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2775 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -194.501 13.3584 4.75102 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.255 13.3584 4.75102 0.154 protocols.relax.FastRelax: {0} CMD: min -239.539 13.4596 4.65558 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.539 13.4596 4.65558 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.413 13.4596 4.65558 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2368 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -198.458 13.4596 4.65558 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.136 13.4596 4.65558 0.31955 protocols.relax.FastRelax: {0} CMD: min -207.667 13.5589 4.69236 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.667 13.5589 4.69236 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.958 13.5589 4.69236 0.55 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 -166.783 13.5589 4.69236 0.55 protocols.relax.FastRelax: {0} CMD: min -192.126 13.6615 4.50462 0.55 protocols.relax.FastRelax: {0} MRP: 1 -192.126 -192.126 13.6615 4.50462 protocols.relax.FastRelax: {0} CMD: accept_to_best -192.126 13.6615 4.50462 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -192.126 13.6615 4.50462 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -192.126 13.6615 4.50462 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.052 13.6615 4.50462 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2416 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -260.964 13.6615 4.50462 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.761 13.6615 4.50462 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.538 13.4192 5.07206 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.538 13.4192 5.07206 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.74 13.4192 5.07206 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2819 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -213.151 13.4192 5.07206 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.699 13.4192 5.07206 0.154 protocols.relax.FastRelax: {0} CMD: min -256.061 13.4759 4.88151 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.061 13.4759 4.88151 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.86 13.4759 4.88151 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2404 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.11 13.4759 4.88151 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.776 13.4759 4.88151 0.31955 protocols.relax.FastRelax: {0} CMD: min -218 13.5987 4.83495 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218 13.5987 4.83495 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.182 13.5987 4.83495 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2399 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -169.808 13.5987 4.83495 0.55 protocols.relax.FastRelax: {0} CMD: min -204.748 13.6475 4.8421 0.55 protocols.relax.FastRelax: {0} MRP: 2 -204.748 -204.748 13.6475 4.8421 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.748 13.6475 4.8421 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.748 13.6475 4.8421 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.748 13.6475 4.8421 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.558 13.6475 4.8421 0.022 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 -276.609 13.6475 4.8421 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.097 13.6475 4.8421 0.02805 protocols.relax.FastRelax: {0} CMD: min -303.702 13.4795 5.33968 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.702 13.4795 5.33968 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.066 13.4795 5.33968 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2715 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -243.866 13.4795 5.33968 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.838 13.4795 5.33968 0.154 protocols.relax.FastRelax: {0} CMD: min -266.862 13.5258 5.17575 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.862 13.5258 5.17575 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.843 13.5258 5.17575 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 -229.456 13.5258 5.17575 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.525 13.5258 5.17575 0.31955 protocols.relax.FastRelax: {0} CMD: min -232.491 13.6171 5.06623 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.491 13.6171 5.06623 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.871 13.6171 5.06623 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2438 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -189.244 13.6171 5.06623 0.55 protocols.relax.FastRelax: {0} CMD: min -206.932 13.6924 4.81416 0.55 protocols.relax.FastRelax: {0} MRP: 3 -206.932 -206.932 13.6924 4.81416 protocols.relax.FastRelax: {0} CMD: accept_to_best -206.932 13.6924 4.81416 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -206.932 13.6924 4.81416 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.932 13.6924 4.81416 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.438 13.6924 4.81416 0.022 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 -278.034 13.6924 4.81416 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.013 13.6924 4.81416 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.964 13.3433 5.36528 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.964 13.3433 5.36528 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.907 13.3433 5.36528 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 -199.786 13.3433 5.36528 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.645 13.3433 5.36528 0.154 protocols.relax.FastRelax: {0} CMD: min -255.384 13.4881 5.25825 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.384 13.4881 5.25825 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.582 13.4881 5.25825 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2447 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.752 13.4881 5.25825 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.224 13.4881 5.25825 0.31955 protocols.relax.FastRelax: {0} CMD: min -226.666 13.4411 5.44252 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.666 13.4411 5.44252 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.945 13.4411 5.44252 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2436 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -183.205 13.4411 5.44252 0.55 protocols.relax.FastRelax: {0} CMD: min -212.311 13.3973 5.68271 0.55 protocols.relax.FastRelax: {0} MRP: 4 -212.311 -212.311 13.3973 5.68271 protocols.relax.FastRelax: {0} CMD: accept_to_best -212.311 13.3973 5.68271 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -212.311 13.3973 5.68271 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_41.pdb protocols.relax.FastRelax: {0} CMD: repeat 71980.9 17.1605 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71980.9 17.1605 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6769.33 17.1605 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3348 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 145.953 17.1605 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 193.969 17.1605 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -307.455 16.1739 2.83179 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.455 16.1739 2.83179 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -78.6838 16.1739 2.83179 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3124 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 16.1739 2.83179 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -110.61 16.1739 2.83179 0.154 protocols.relax.FastRelax: {0} CMD: min -226.706 16.1338 3.26471 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.706 16.1338 3.26471 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.737 16.1338 3.26471 0.30745 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 -177.833 16.1338 3.26471 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.746 16.1338 3.26471 0.31955 protocols.relax.FastRelax: {0} CMD: min -197.451 16.0935 3.3981 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.451 16.0935 3.3981 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.092 16.0935 3.3981 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2653 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -151.514 16.0935 3.3981 0.55 protocols.relax.FastRelax: {0} CMD: min -221.027 15.9275 4.22332 0.55 protocols.relax.FastRelax: {0} MRP: 0 -221.027 -221.027 15.9275 4.22332 protocols.relax.FastRelax: {0} CMD: accept_to_best -221.027 15.9275 4.22332 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -221.027 15.9275 4.22332 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.027 15.9275 4.22332 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.26 15.9275 4.22332 0.022 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 -305.409 15.9275 4.22332 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.575 15.9275 4.22332 0.02805 protocols.relax.FastRelax: {0} CMD: min -356.031 15.9516 4.37532 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -356.031 15.9516 4.37532 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.389 15.9516 4.37532 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3108 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -186.332 15.9516 4.37532 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.691 15.9516 4.37532 0.154 protocols.relax.FastRelax: {0} CMD: min -282.14 15.878 4.47822 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.14 15.878 4.47822 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.859 15.878 4.47822 0.30745 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 -236.548 15.878 4.47822 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.926 15.878 4.47822 0.31955 protocols.relax.FastRelax: {0} CMD: min -243.854 16.0612 4.38799 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.854 16.0612 4.38799 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.273 16.0612 4.38799 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 -195.982 16.0612 4.38799 0.55 protocols.relax.FastRelax: {0} CMD: min -230.573 16.0066 4.08916 0.55 protocols.relax.FastRelax: {0} MRP: 1 -230.573 -230.573 16.0066 4.08916 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.573 16.0066 4.08916 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.573 16.0066 4.08916 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.573 16.0066 4.08916 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.616 16.0066 4.08916 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2763 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -313.993 16.0066 4.08916 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -311.71 16.0066 4.08916 0.02805 protocols.relax.FastRelax: {0} CMD: min -377.989 15.8523 4.43816 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -377.989 15.8523 4.43816 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.669 15.8523 4.43816 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 -214.558 15.8523 4.43816 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.051 15.8523 4.43816 0.154 protocols.relax.FastRelax: {0} CMD: min -300.272 15.8469 4.34729 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -300.272 15.8469 4.34729 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.768 15.8469 4.34729 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2648 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -253.301 15.8469 4.34729 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.626 15.8469 4.34729 0.31955 protocols.relax.FastRelax: {0} CMD: min -263.862 15.9347 4.29741 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.862 15.9347 4.29741 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.099 15.9347 4.29741 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2510 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -222.216 15.9347 4.29741 0.55 protocols.relax.FastRelax: {0} CMD: min -242.899 15.8964 4.35651 0.55 protocols.relax.FastRelax: {0} MRP: 2 -242.899 -242.899 15.8964 4.35651 protocols.relax.FastRelax: {0} CMD: accept_to_best -242.899 15.8964 4.35651 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -242.899 15.8964 4.35651 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.899 15.8964 4.35651 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.645 15.8964 4.35651 0.022 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 -319.532 15.8964 4.35651 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.504 15.8964 4.35651 0.02805 protocols.relax.FastRelax: {0} CMD: min -372.267 15.7307 4.32848 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -372.267 15.7307 4.32848 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.501 15.7307 4.32848 0.14575 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 -239.099 15.7307 4.32848 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.923 15.7307 4.32848 0.154 protocols.relax.FastRelax: {0} CMD: min -298.154 15.8176 4.3195 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -298.154 15.8176 4.3195 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.803 15.8176 4.3195 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2715 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -255.644 15.8176 4.3195 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.1 15.8176 4.3195 0.31955 protocols.relax.FastRelax: {0} CMD: min -266.515 15.8937 4.3476 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.515 15.8937 4.3476 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.166 15.8937 4.3476 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2531 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -226.031 15.8937 4.3476 0.55 protocols.relax.FastRelax: {0} CMD: min -245.238 15.901 4.40622 0.55 protocols.relax.FastRelax: {0} MRP: 3 -245.238 -245.238 15.901 4.40622 protocols.relax.FastRelax: {0} CMD: accept_to_best -245.238 15.901 4.40622 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -245.238 15.901 4.40622 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.238 15.901 4.40622 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308 15.901 4.40622 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2927 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -321.744 15.901 4.40622 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -319.445 15.901 4.40622 0.02805 protocols.relax.FastRelax: {0} CMD: min -371.709 15.8528 4.24391 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -371.709 15.8528 4.24391 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.528 15.8528 4.24391 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 -233.956 15.8528 4.24391 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.779 15.8528 4.24391 0.154 protocols.relax.FastRelax: {0} CMD: min -308.169 15.893 4.37069 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.169 15.893 4.37069 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.147 15.893 4.37069 0.30745 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 -261.951 15.893 4.37069 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.326 15.893 4.37069 0.31955 protocols.relax.FastRelax: {0} CMD: min -272.502 15.984 4.41689 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.502 15.984 4.41689 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.748 15.984 4.41689 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2710 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -231.392 15.984 4.41689 0.55 protocols.relax.FastRelax: {0} CMD: min -250.201 16.0511 4.44631 0.55 protocols.relax.FastRelax: {0} MRP: 4 -250.201 -250.201 16.0511 4.44631 protocols.relax.FastRelax: {0} CMD: accept_to_best -250.201 16.0511 4.44631 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -250.201 16.0511 4.44631 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_9.pdb protocols.relax.FastRelax: {0} CMD: repeat 69317.7 16.7553 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69317.7 16.7553 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7060.35 16.7553 0 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 104.001 16.7553 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 117.503 16.7553 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -235.873 16.3277 4.84784 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.873 16.3277 4.84784 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -114.476 16.3277 4.84784 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 -158.237 16.3277 4.84784 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.8 16.3277 4.84784 0.154 protocols.relax.FastRelax: {0} CMD: min -195.157 16.526 4.63362 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.157 16.526 4.63362 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.966 16.526 4.63362 0.30745 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 -155.133 16.526 4.63362 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -151.928 16.526 4.63362 0.31955 protocols.relax.FastRelax: {0} CMD: min -167.432 16.6203 5.09566 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -167.432 16.6203 5.09566 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.973 16.6203 5.09566 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2138 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -127.879 16.6203 5.09566 0.55 protocols.relax.FastRelax: {0} CMD: min -193.664 15.9509 5.00789 0.55 protocols.relax.FastRelax: {0} MRP: 0 -193.664 -193.664 15.9509 5.00789 protocols.relax.FastRelax: {0} CMD: accept_to_best -193.664 15.9509 5.00789 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -193.664 15.9509 5.00789 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.664 15.9509 5.00789 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.021 15.9509 5.00789 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2474 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -259.178 15.9509 5.00789 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.107 15.9509 5.00789 0.02805 protocols.relax.FastRelax: {0} CMD: min -291.604 15.6378 5.03472 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.604 15.6378 5.03472 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.411 15.6378 5.03472 0.14575 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 -215.134 15.6378 5.03472 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.103 15.6378 5.03472 0.154 protocols.relax.FastRelax: {0} CMD: min -250.089 15.9074 5.29988 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.089 15.9074 5.29988 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.874 15.9074 5.29988 0.30745 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 -216.136 15.9074 5.29988 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.454 15.9074 5.29988 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.458 16.0603 5.19974 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.458 16.0603 5.19974 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.032 16.0603 5.19974 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2300 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -184.075 16.0603 5.19974 0.55 protocols.relax.FastRelax: {0} CMD: min -203.994 15.9166 5.98788 0.55 protocols.relax.FastRelax: {0} MRP: 1 -203.994 -203.994 15.9166 5.98788 protocols.relax.FastRelax: {0} CMD: accept_to_best -203.994 15.9166 5.98788 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -203.994 15.9166 5.98788 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.994 15.9166 5.98788 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.079 15.9166 5.98788 0.022 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 -267.674 15.9166 5.98788 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.077 15.9166 5.98788 0.02805 protocols.relax.FastRelax: {0} CMD: min -288.876 15.4257 6.46902 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.876 15.4257 6.46902 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.002 15.4257 6.46902 0.14575 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 -211.905 15.4257 6.46902 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.883 15.4257 6.46902 0.154 protocols.relax.FastRelax: {0} CMD: min -250.226 15.4614 6.479 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.226 15.4614 6.479 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.664 15.4614 6.479 0.30745 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 -220.571 15.4614 6.479 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.956 15.4614 6.479 0.31955 protocols.relax.FastRelax: {0} CMD: min -229.337 15.43 6.50896 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.337 15.43 6.50896 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.734 15.43 6.50896 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2368 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -194.963 15.43 6.50896 0.55 protocols.relax.FastRelax: {0} CMD: min -216.056 15.2418 6.71603 0.55 protocols.relax.FastRelax: {0} MRP: 2 -216.056 -216.056 15.2418 6.71603 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.056 15.2418 6.71603 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.056 15.2418 6.71603 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.056 15.2418 6.71603 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.767 15.2418 6.71603 0.022 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 -281.229 15.2418 6.71603 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.842 15.2418 6.71603 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.501 14.8153 7.03401 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.501 14.8153 7.03401 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.022 14.8153 7.03401 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 -217.735 14.8153 7.03401 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.167 14.8153 7.03401 0.154 protocols.relax.FastRelax: {0} CMD: min -269.11 14.9606 6.83777 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -269.11 14.9606 6.83777 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.969 14.9606 6.83777 0.30745 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 -234.684 14.9606 6.83777 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.842 14.9606 6.83777 0.31955 protocols.relax.FastRelax: {0} CMD: min -238.492 15.0276 6.87476 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.492 15.0276 6.87476 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.005 15.0276 6.87476 0.55 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 -197.707 15.0276 6.87476 0.55 protocols.relax.FastRelax: {0} CMD: min -216.508 15.1882 6.74671 0.55 protocols.relax.FastRelax: {0} MRP: 3 -216.508 -216.508 15.1882 6.74671 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.508 15.1882 6.74671 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.508 15.1882 6.74671 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.508 15.1882 6.74671 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.384 15.1882 6.74671 0.022 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 -282.385 15.1882 6.74671 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.831 15.1882 6.74671 0.02805 protocols.relax.FastRelax: {0} CMD: min -292.986 14.8596 7.13934 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.986 14.8596 7.13934 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.793 14.8596 7.13934 0.14575 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 -254.029 14.8596 7.13934 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.741 14.8596 7.13934 0.154 protocols.relax.FastRelax: {0} CMD: min -264.023 14.9977 6.7983 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.023 14.9977 6.7983 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.136 14.9977 6.7983 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2360 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -234.663 14.9977 6.7983 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.229 14.9977 6.7983 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.528 15.0487 6.82987 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.528 15.0487 6.82987 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.213 15.0487 6.82987 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 -208.223 15.0487 6.82987 0.55 protocols.relax.FastRelax: {0} CMD: min -222.297 14.9407 6.68742 0.55 protocols.relax.FastRelax: {0} MRP: 4 -222.297 -222.297 14.9407 6.68742 protocols.relax.FastRelax: {0} CMD: accept_to_best -222.297 14.9407 6.68742 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -222.297 14.9407 6.68742 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_35.pdb protocols.relax.FastRelax: {0} CMD: repeat 77041.7 16.138 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 77041.7 16.138 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7097.24 16.138 0 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 -40.5431 16.138 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -3.48775 16.138 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -248.076 16.2788 1.67987 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.076 16.2788 1.67987 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -92.127 16.2788 1.67987 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3174 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -125.113 16.2788 1.67987 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -116.57 16.2788 1.67987 0.154 protocols.relax.FastRelax: {0} CMD: min -177.494 16.337 1.61907 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.494 16.337 1.61907 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -111.837 16.337 1.61907 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 -118.271 16.337 1.61907 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -113.582 16.337 1.61907 0.31955 protocols.relax.FastRelax: {0} CMD: min -175.118 16.1172 1.90238 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -175.118 16.1172 1.90238 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -127.238 16.1172 1.90238 0.55 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 -128.408 16.1172 1.90238 0.55 protocols.relax.FastRelax: {0} CMD: min -163.371 15.5956 2.85029 0.55 protocols.relax.FastRelax: {0} MRP: 0 -163.371 -163.371 15.5956 2.85029 protocols.relax.FastRelax: {0} CMD: accept_to_best -163.371 15.5956 2.85029 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -163.371 15.5956 2.85029 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -163.371 15.5956 2.85029 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.352 15.5956 2.85029 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 -254.987 15.5956 2.85029 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.588 15.5956 2.85029 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.585 15.3945 3.16158 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.585 15.3945 3.16158 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.46 15.3945 3.16158 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 -187.887 15.3945 3.16158 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.497 15.3945 3.16158 0.154 protocols.relax.FastRelax: {0} CMD: min -243.485 15.3404 3.20886 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.485 15.3404 3.20886 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.427 15.3404 3.20886 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2921 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -196.245 15.3404 3.20886 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.468 15.3404 3.20886 0.31955 protocols.relax.FastRelax: {0} CMD: min -202.985 15.3193 3.18077 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.985 15.3193 3.18077 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.069 15.3193 3.18077 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2805 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -153.243 15.3193 3.18077 0.55 protocols.relax.FastRelax: {0} CMD: min -182.826 15.3248 3.29857 0.55 protocols.relax.FastRelax: {0} MRP: 1 -182.826 -182.826 15.3248 3.29857 protocols.relax.FastRelax: {0} CMD: accept_to_best -182.826 15.3248 3.29857 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -182.826 15.3248 3.29857 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -182.826 15.3248 3.29857 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.659 15.3248 3.29857 0.022 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 -269.424 15.3248 3.29857 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.741 15.3248 3.29857 0.02805 protocols.relax.FastRelax: {0} CMD: min -304.464 15.1917 3.51889 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.464 15.1917 3.51889 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.65 15.1917 3.51889 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 -200.786 15.1917 3.51889 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.484 15.1917 3.51889 0.154 protocols.relax.FastRelax: {0} CMD: min -247.695 15.1753 3.41551 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.695 15.1753 3.41551 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.66 15.1753 3.41551 0.30745 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 -203.774 15.1753 3.41551 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.269 15.1753 3.41551 0.31955 protocols.relax.FastRelax: {0} CMD: min -212.345 15.1283 3.38345 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.345 15.1283 3.38345 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.061 15.1283 3.38345 0.55 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 -166.338 15.1283 3.38345 0.55 protocols.relax.FastRelax: {0} CMD: min -186.624 15.2562 3.4681 0.55 protocols.relax.FastRelax: {0} MRP: 2 -186.624 -186.624 15.2562 3.4681 protocols.relax.FastRelax: {0} CMD: accept_to_best -186.624 15.2562 3.4681 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -186.624 15.2562 3.4681 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -186.624 15.2562 3.4681 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.928 15.2562 3.4681 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 -267.146 15.2562 3.4681 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.984 15.2562 3.4681 0.02805 protocols.relax.FastRelax: {0} CMD: min -323.067 15.7306 3.64478 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -323.067 15.7306 3.64478 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.151 15.7306 3.64478 0.14575 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 -200.868 15.7306 3.64478 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.907 15.7306 3.64478 0.154 protocols.relax.FastRelax: {0} CMD: min -259.886 15.5364 3.69267 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.886 15.5364 3.69267 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.925 15.5364 3.69267 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2811 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.38 15.5364 3.69267 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.617 15.5364 3.69267 0.31955 protocols.relax.FastRelax: {0} CMD: min -219.695 15.5147 3.6986 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.695 15.5147 3.6986 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.502 15.5147 3.6986 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2670 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -170.681 15.5147 3.6986 0.55 protocols.relax.FastRelax: {0} CMD: min -191.643 15.521 3.88067 0.55 protocols.relax.FastRelax: {0} MRP: 3 -191.643 -191.643 15.521 3.88067 protocols.relax.FastRelax: {0} CMD: accept_to_best -191.643 15.521 3.88067 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -191.643 15.521 3.88067 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.643 15.521 3.88067 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.38 15.521 3.88067 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 -273.334 15.521 3.88067 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.044 15.521 3.88067 0.02805 protocols.relax.FastRelax: {0} CMD: min -326.607 15.6605 3.81395 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.607 15.6605 3.81395 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.53 15.6605 3.81395 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3103 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -198.645 15.6605 3.81395 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.058 15.6605 3.81395 0.154 protocols.relax.FastRelax: {0} CMD: min -250.88 15.5062 3.66022 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.88 15.5062 3.66022 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.707 15.5062 3.66022 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2843 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -207.624 15.5062 3.66022 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.037 15.5062 3.66022 0.31955 protocols.relax.FastRelax: {0} CMD: min -212.293 15.438 3.687 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.293 15.438 3.687 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160 15.438 3.687 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 -160.002 15.438 3.687 0.55 protocols.relax.FastRelax: {0} CMD: min -190.931 15.7471 3.82975 0.55 protocols.relax.FastRelax: {0} MRP: 4 -190.931 -191.643 15.521 3.88067 protocols.relax.FastRelax: {0} CMD: accept_to_best -190.931 15.7471 3.82975 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -190.931 15.7471 3.82975 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_39.pdb protocols.relax.FastRelax: {0} CMD: repeat 71680.2 15.7112 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71680.2 15.7112 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7158.91 15.7112 0 0.022 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 -138.447 15.7112 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.296 15.7112 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -265.23 15.5812 5.48654 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -265.23 15.5812 5.48654 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -137.29 15.5812 5.48654 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2558 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -169.074 15.5812 5.48654 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.534 15.5812 5.48654 0.154 protocols.relax.FastRelax: {0} CMD: min -236.668 15.3991 5.95687 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.668 15.3991 5.95687 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.934 15.3991 5.95687 0.30745 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 -198.645 15.3991 5.95687 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.535 15.3991 5.95687 0.31955 protocols.relax.FastRelax: {0} CMD: min -210.208 15.4743 6.09524 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.208 15.4743 6.09524 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.75 15.4743 6.09524 0.55 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 -172.087 15.4743 6.09524 0.55 protocols.relax.FastRelax: {0} CMD: min -210.109 15.6861 6.61221 0.55 protocols.relax.FastRelax: {0} MRP: 0 -210.109 -210.109 15.6861 6.61221 protocols.relax.FastRelax: {0} CMD: accept_to_best -210.109 15.6861 6.61221 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -210.109 15.6861 6.61221 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.109 15.6861 6.61221 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.385 15.6861 6.61221 0.022 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 -276.964 15.6861 6.61221 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.83 15.6861 6.61221 0.02805 protocols.relax.FastRelax: {0} CMD: min -330.551 15.6485 6.13356 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -330.551 15.6485 6.13356 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.63 15.6485 6.13356 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2356 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.992 15.6485 6.13356 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.492 15.6485 6.13356 0.154 protocols.relax.FastRelax: {0} CMD: min -275.468 15.6779 6.13455 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.468 15.6779 6.13455 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.103 15.6779 6.13455 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2330 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -233.687 15.6779 6.13455 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.383 15.6779 6.13455 0.31955 protocols.relax.FastRelax: {0} CMD: min -243.552 15.6676 6.20706 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.552 15.6676 6.20706 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.354 15.6676 6.20706 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2116 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -204.509 15.6676 6.20706 0.55 protocols.relax.FastRelax: {0} CMD: min -223.893 15.4684 6.53782 0.55 protocols.relax.FastRelax: {0} MRP: 1 -223.893 -223.893 15.4684 6.53782 protocols.relax.FastRelax: {0} CMD: accept_to_best -223.893 15.4684 6.53782 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -223.893 15.4684 6.53782 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.893 15.4684 6.53782 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.791 15.4684 6.53782 0.022 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 -291.289 15.4684 6.53782 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.539 15.4684 6.53782 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.496 15.4777 6.3597 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.496 15.4777 6.3597 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.17 15.4777 6.3597 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 -242.281 15.4777 6.3597 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.28 15.4777 6.3597 0.154 protocols.relax.FastRelax: {0} CMD: min -275.299 15.4619 6.36049 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.299 15.4619 6.36049 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.315 15.4619 6.36049 0.30745 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 -238.116 15.4619 6.36049 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.036 15.4619 6.36049 0.31955 protocols.relax.FastRelax: {0} CMD: min -247.275 15.4763 6.45698 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.275 15.4763 6.45698 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.645 15.4763 6.45698 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2159 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.934 15.4763 6.45698 0.55 protocols.relax.FastRelax: {0} CMD: min -232.438 15.373 6.48667 0.55 protocols.relax.FastRelax: {0} MRP: 2 -232.438 -232.438 15.373 6.48667 protocols.relax.FastRelax: {0} CMD: accept_to_best -232.438 15.373 6.48667 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -232.438 15.373 6.48667 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.438 15.373 6.48667 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.043 15.373 6.48667 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2233 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -300.869 15.373 6.48667 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.284 15.373 6.48667 0.02805 protocols.relax.FastRelax: {0} CMD: min -336.821 15.3572 6.25033 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -336.821 15.3572 6.25033 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.869 15.3572 6.25033 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2560 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -250.311 15.3572 6.25033 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.963 15.3572 6.25033 0.154 protocols.relax.FastRelax: {0} CMD: min -287.407 15.3329 6.28146 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -287.407 15.3329 6.28146 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.755 15.3329 6.28146 0.30745 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 -251.185 15.3329 6.28146 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.336 15.3329 6.28146 0.31955 protocols.relax.FastRelax: {0} CMD: min -258.78 15.3586 6.37422 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.78 15.3586 6.37422 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.756 15.3586 6.37422 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2208 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.76 15.3586 6.37422 0.55 protocols.relax.FastRelax: {0} CMD: min -236.627 15.3655 6.39848 0.55 protocols.relax.FastRelax: {0} MRP: 3 -236.627 -236.627 15.3655 6.39848 protocols.relax.FastRelax: {0} CMD: accept_to_best -236.627 15.3655 6.39848 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -236.627 15.3655 6.39848 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.627 15.3655 6.39848 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.205 15.3655 6.39848 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2319 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.474 15.3655 6.39848 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.649 15.3655 6.39848 0.02805 protocols.relax.FastRelax: {0} CMD: min -342.525 15.3 6.24597 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -342.525 15.3 6.24597 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.614 15.3 6.24597 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 -260.591 15.3 6.24597 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.152 15.3 6.24597 0.154 protocols.relax.FastRelax: {0} CMD: min -296.115 15.2752 6.29325 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -296.115 15.2752 6.29325 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.91 15.2752 6.29325 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2356 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -258.018 15.2752 6.29325 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.025 15.2752 6.29325 0.31955 protocols.relax.FastRelax: {0} CMD: min -262.562 15.2709 6.34514 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.562 15.2709 6.34514 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.301 15.2709 6.34514 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2212 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -221.325 15.2709 6.34514 0.55 protocols.relax.FastRelax: {0} CMD: min -238.738 15.3426 6.44095 0.55 protocols.relax.FastRelax: {0} MRP: 4 -238.738 -238.738 15.3426 6.44095 protocols.relax.FastRelax: {0} CMD: accept_to_best -238.738 15.3426 6.44095 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -238.738 15.3426 6.44095 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_33.pdb protocols.relax.FastRelax: {0} CMD: repeat 70897.1 10.828 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70897.1 10.828 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6755 10.828 0 0.022 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 -81.6702 10.828 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -42.8154 10.828 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -295.666 10.2975 3.03544 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.666 10.2975 3.03544 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -130.542 10.2975 3.03544 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3093 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -163.397 10.2975 3.03544 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -154.715 10.2975 3.03544 0.154 protocols.relax.FastRelax: {0} CMD: min -240.395 10.1943 3.3687 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.395 10.1943 3.3687 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.678 10.1943 3.3687 0.30745 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 -191.786 10.1943 3.3687 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.049 10.1943 3.3687 0.31955 protocols.relax.FastRelax: {0} CMD: min -205.415 10.1765 3.55086 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.415 10.1765 3.55086 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.807 10.1765 3.55086 0.55 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 -160.292 10.1765 3.55086 0.55 protocols.relax.FastRelax: {0} CMD: min -209.983 10.1203 4.71357 0.55 protocols.relax.FastRelax: {0} MRP: 0 -209.983 -209.983 10.1203 4.71357 protocols.relax.FastRelax: {0} CMD: accept_to_best -209.983 10.1203 4.71357 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -209.983 10.1203 4.71357 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.983 10.1203 4.71357 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.635 10.1203 4.71357 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3155 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -283.549 10.1203 4.71357 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.049 10.1203 4.71357 0.02805 protocols.relax.FastRelax: {0} CMD: min -331.017 10.0725 4.61908 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -331.017 10.0725 4.61908 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.808 10.0725 4.61908 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3517 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -230.469 10.0725 4.61908 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.019 10.0725 4.61908 0.154 protocols.relax.FastRelax: {0} CMD: min -272.483 9.97459 4.77308 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.483 9.97459 4.77308 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.852 9.97459 4.77308 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3257 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -231.561 9.97459 4.77308 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.275 9.97459 4.77308 0.31955 protocols.relax.FastRelax: {0} CMD: min -240.635 9.96638 4.79019 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.635 9.96638 4.79019 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.884 9.96638 4.79019 0.55 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 -198.845 9.96638 4.79019 0.55 protocols.relax.FastRelax: {0} CMD: min -220.976 9.87969 5.17798 0.55 protocols.relax.FastRelax: {0} MRP: 1 -220.976 -220.976 9.87969 5.17798 protocols.relax.FastRelax: {0} CMD: accept_to_best -220.976 9.87969 5.17798 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -220.976 9.87969 5.17798 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.976 9.87969 5.17798 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.143 9.87969 5.17798 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 -294.692 9.87969 5.17798 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.152 9.87969 5.17798 0.02805 protocols.relax.FastRelax: {0} CMD: min -330.765 9.87654 4.94575 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -330.765 9.87654 4.94575 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.493 9.87654 4.94575 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3349 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -250.799 9.87654 4.94575 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.77 9.87654 4.94575 0.154 protocols.relax.FastRelax: {0} CMD: min -281.402 9.88097 5.00245 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.402 9.88097 5.00245 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.256 9.88097 5.00245 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3155 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -240.644 9.88097 5.00245 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.587 9.88097 5.00245 0.31955 protocols.relax.FastRelax: {0} CMD: min -248.638 9.93598 5.05597 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.638 9.93598 5.05597 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.505 9.93598 5.05597 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3144 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -209.027 9.93598 5.05597 0.55 protocols.relax.FastRelax: {0} CMD: min -224.574 9.91532 5.23322 0.55 protocols.relax.FastRelax: {0} MRP: 2 -224.574 -224.574 9.91532 5.23322 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.574 9.91532 5.23322 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.574 9.91532 5.23322 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.574 9.91532 5.23322 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.654 9.91532 5.23322 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 -297.394 9.91532 5.23322 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.579 9.91532 5.23322 0.02805 protocols.relax.FastRelax: {0} CMD: min -338.184 9.85645 5.14491 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -338.184 9.85645 5.14491 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.174 9.85645 5.14491 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3323 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -230.181 9.85645 5.14491 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.898 9.85645 5.14491 0.154 protocols.relax.FastRelax: {0} CMD: min -278.261 9.88942 5.14269 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.261 9.88942 5.14269 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.649 9.88942 5.14269 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3219 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -243.038 9.88942 5.14269 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.837 9.88942 5.14269 0.31955 protocols.relax.FastRelax: {0} CMD: min -249.251 9.89395 5.21914 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.251 9.89395 5.21914 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.129 9.89395 5.21914 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3194 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -205.403 9.89395 5.21914 0.55 protocols.relax.FastRelax: {0} CMD: min -224.852 9.91926 5.21565 0.55 protocols.relax.FastRelax: {0} MRP: 3 -224.852 -224.852 9.91926 5.21565 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.852 9.91926 5.21565 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.852 9.91926 5.21565 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.852 9.91926 5.21565 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.865 9.91926 5.21565 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3326 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -294.979 9.91926 5.21565 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.321 9.91926 5.21565 0.02805 protocols.relax.FastRelax: {0} CMD: min -326.499 9.81472 4.99463 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.499 9.81472 4.99463 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.47 9.81472 4.99463 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3332 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.975 9.81472 4.99463 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.888 9.81472 4.99463 0.154 protocols.relax.FastRelax: {0} CMD: min -280.33 9.95223 4.97983 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.33 9.95223 4.97983 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.584 9.95223 4.97983 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3264 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -243.236 9.95223 4.97983 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.284 9.95223 4.97983 0.31955 protocols.relax.FastRelax: {0} CMD: min -249.146 9.89945 4.97668 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.146 9.89945 4.97668 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.471 9.89945 4.97668 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3096 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -207.627 9.89945 4.97668 0.55 protocols.relax.FastRelax: {0} CMD: min -223.989 9.892 4.99734 0.55 protocols.relax.FastRelax: {0} MRP: 4 -223.989 -224.852 9.91926 5.21565 protocols.relax.FastRelax: {0} CMD: accept_to_best -223.989 9.892 4.99734 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -223.989 9.892 4.99734 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_48.pdb protocols.relax.FastRelax: {0} CMD: repeat 76178.5 14.315 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 76178.5 14.315 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7699.1 14.315 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2923 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 146.826 14.315 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 176.69 14.315 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -187.663 15.2267 2.81831 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -187.663 15.2267 2.81831 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -18.4695 15.2267 2.81831 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2560 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -80.3194 15.2267 2.81831 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -73.2458 15.2267 2.81831 0.154 protocols.relax.FastRelax: {0} CMD: min -208.126 15.3457 2.98626 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.126 15.3457 2.98626 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.899 15.3457 2.98626 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2469 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -171.375 15.3457 2.98626 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.02 15.3457 2.98626 0.31955 protocols.relax.FastRelax: {0} CMD: min -181.194 15.5188 3.15317 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -181.194 15.5188 3.15317 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -136.757 15.5188 3.15317 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2387 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -136.044 15.5188 3.15317 0.55 protocols.relax.FastRelax: {0} CMD: min -182.889 15.7825 3.31342 0.55 protocols.relax.FastRelax: {0} MRP: 0 -182.889 -182.889 15.7825 3.31342 protocols.relax.FastRelax: {0} CMD: accept_to_best -182.889 15.7825 3.31342 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -182.889 15.7825 3.31342 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -182.889 15.7825 3.31342 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.51 15.7825 3.31342 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2658 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -260.976 15.7825 3.31342 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.534 15.7825 3.31342 0.02805 protocols.relax.FastRelax: {0} CMD: min -308.318 15.5154 3.22274 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.318 15.5154 3.22274 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -167.306 15.5154 3.22274 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3050 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -196.113 15.5154 3.22274 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.128 15.5154 3.22274 0.154 protocols.relax.FastRelax: {0} CMD: min -251.311 15.5383 3.26926 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.311 15.5383 3.26926 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.855 15.5383 3.26926 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 -204.202 15.5383 3.26926 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.527 15.5383 3.26926 0.31955 protocols.relax.FastRelax: {0} CMD: min -213.076 15.5875 3.24899 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.076 15.5875 3.24899 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.174 15.5875 3.24899 0.55 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 -167.628 15.5875 3.24899 0.55 protocols.relax.FastRelax: {0} CMD: min -201.639 15.8443 3.63887 0.55 protocols.relax.FastRelax: {0} MRP: 1 -201.639 -201.639 15.8443 3.63887 protocols.relax.FastRelax: {0} CMD: accept_to_best -201.639 15.8443 3.63887 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -201.639 15.8443 3.63887 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.639 15.8443 3.63887 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.294 15.8443 3.63887 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 -283.025 15.8443 3.63887 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.812 15.8443 3.63887 0.02805 protocols.relax.FastRelax: {0} CMD: min -313.86 15.7269 3.73746 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -313.86 15.7269 3.73746 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.666 15.7269 3.73746 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 -225.53 15.7269 3.73746 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.872 15.7269 3.73746 0.154 protocols.relax.FastRelax: {0} CMD: min -268.215 15.7697 3.85793 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.215 15.7697 3.85793 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.423 15.7697 3.85793 0.30745 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 -223.463 15.7697 3.85793 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.087 15.7697 3.85793 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.673 15.8148 3.82452 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.673 15.8148 3.82452 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.564 15.8148 3.82452 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 -183.465 15.8148 3.82452 0.55 protocols.relax.FastRelax: {0} CMD: min -202.054 15.8416 3.71605 0.55 protocols.relax.FastRelax: {0} MRP: 2 -202.054 -202.054 15.8416 3.71605 protocols.relax.FastRelax: {0} CMD: accept_to_best -202.054 15.8416 3.71605 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -202.054 15.8416 3.71605 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.054 15.8416 3.71605 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.372 15.8416 3.71605 0.022 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 -284.203 15.8416 3.71605 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.419 15.8416 3.71605 0.02805 protocols.relax.FastRelax: {0} CMD: min -332.129 15.6346 3.76848 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -332.129 15.6346 3.76848 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.928 15.6346 3.76848 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3003 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -217.553 15.6346 3.76848 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.615 15.6346 3.76848 0.154 protocols.relax.FastRelax: {0} CMD: min -259.768 15.6866 3.73981 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.768 15.6866 3.73981 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.4 15.6866 3.73981 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2758 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.411 15.6866 3.73981 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.488 15.6866 3.73981 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.306 15.7568 3.75634 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.306 15.7568 3.75634 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.194 15.7568 3.75634 0.55 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 -185.141 15.7568 3.75634 0.55 protocols.relax.FastRelax: {0} CMD: min -202.936 15.7154 3.68612 0.55 protocols.relax.FastRelax: {0} MRP: 3 -202.936 -202.936 15.7154 3.68612 protocols.relax.FastRelax: {0} CMD: accept_to_best -202.936 15.7154 3.68612 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -202.936 15.7154 3.68612 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.936 15.7154 3.68612 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.288 15.7154 3.68612 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3058 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -283.539 15.7154 3.68612 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.539 15.7154 3.68612 0.02805 protocols.relax.FastRelax: {0} CMD: min -319.522 15.5989 3.67629 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.522 15.5989 3.67629 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.356 15.5989 3.67629 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2936 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -222.528 15.5989 3.67629 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.279 15.5989 3.67629 0.154 protocols.relax.FastRelax: {0} CMD: min -267.415 15.6402 3.67377 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.415 15.6402 3.67377 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.129 15.6402 3.67377 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2763 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.727 15.6402 3.67377 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.279 15.6402 3.67377 0.31955 protocols.relax.FastRelax: {0} CMD: min -232.296 15.666 3.6484 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.296 15.666 3.6484 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.981 15.666 3.6484 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 -188.103 15.666 3.6484 0.55 protocols.relax.FastRelax: {0} CMD: min -204.359 15.6856 3.57658 0.55 protocols.relax.FastRelax: {0} MRP: 4 -204.359 -204.359 15.6856 3.57658 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.359 15.6856 3.57658 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.359 15.6856 3.57658 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_25.pdb protocols.relax.FastRelax: {0} CMD: repeat 72295.4 15.9473 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72295.4 15.9473 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7325.55 15.9473 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2340 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 86.6575 15.9473 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 97.2415 15.9473 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -272.707 15.6236 2.26581 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.707 15.6236 2.26581 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -125.01 15.6236 2.26581 0.14575 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 -151.076 15.6236 2.26581 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -143.017 15.6236 2.26581 0.154 protocols.relax.FastRelax: {0} CMD: min -224.985 15.9627 2.52556 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.985 15.9627 2.52556 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.67 15.9627 2.52556 0.30745 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 -183.152 15.9627 2.52556 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.735 15.9627 2.52556 0.31955 protocols.relax.FastRelax: {0} CMD: min -194.745 16.2312 2.7825 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.745 16.2312 2.7825 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.453 16.2312 2.7825 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2178 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -154.561 16.2312 2.7825 0.55 protocols.relax.FastRelax: {0} CMD: min -203.341 16.6209 3.76193 0.55 protocols.relax.FastRelax: {0} MRP: 0 -203.341 -203.341 16.6209 3.76193 protocols.relax.FastRelax: {0} CMD: accept_to_best -203.341 16.6209 3.76193 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -203.341 16.6209 3.76193 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.341 16.6209 3.76193 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.209 16.6209 3.76193 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2299 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -272.794 16.6209 3.76193 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.726 16.6209 3.76193 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.867 16.5317 4.42475 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.867 16.5317 4.42475 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.057 16.5317 4.42475 0.14575 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 -218.837 16.5317 4.42475 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.881 16.5317 4.42475 0.154 protocols.relax.FastRelax: {0} CMD: min -262.427 16.5294 4.36277 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.427 16.5294 4.36277 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.172 16.5294 4.36277 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2375 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.881 16.5294 4.36277 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.845 16.5294 4.36277 0.31955 protocols.relax.FastRelax: {0} CMD: min -227.438 16.5961 4.33947 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.438 16.5961 4.33947 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.21 16.5961 4.33947 0.55 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 -186.728 16.5961 4.33947 0.55 protocols.relax.FastRelax: {0} CMD: min -212.447 16.5126 4.12504 0.55 protocols.relax.FastRelax: {0} MRP: 1 -212.447 -212.447 16.5126 4.12504 protocols.relax.FastRelax: {0} CMD: accept_to_best -212.447 16.5126 4.12504 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -212.447 16.5126 4.12504 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.447 16.5126 4.12504 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.362 16.5126 4.12504 0.022 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 -284.837 16.5126 4.12504 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.85 16.5126 4.12504 0.02805 protocols.relax.FastRelax: {0} CMD: min -324.832 16.7211 4.76498 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -324.832 16.7211 4.76498 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.793 16.7211 4.76498 0.14575 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 -223.458 16.7211 4.76498 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.903 16.7211 4.76498 0.154 protocols.relax.FastRelax: {0} CMD: min -267.864 16.643 4.44135 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.864 16.643 4.44135 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.406 16.643 4.44135 0.30745 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 -227.437 16.643 4.44135 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.141 16.643 4.44135 0.31955 protocols.relax.FastRelax: {0} CMD: min -230.897 16.6477 4.19833 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.897 16.6477 4.19833 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.133 16.6477 4.19833 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2183 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -185.801 16.6477 4.19833 0.55 protocols.relax.FastRelax: {0} CMD: min -214.899 16.6139 4.15896 0.55 protocols.relax.FastRelax: {0} MRP: 2 -214.899 -214.899 16.6139 4.15896 protocols.relax.FastRelax: {0} CMD: accept_to_best -214.899 16.6139 4.15896 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -214.899 16.6139 4.15896 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.899 16.6139 4.15896 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.557 16.6139 4.15896 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 -288.498 16.6139 4.15896 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.846 16.6139 4.15896 0.02805 protocols.relax.FastRelax: {0} CMD: min -316.75 16.688 4.59155 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -316.75 16.688 4.59155 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.073 16.688 4.59155 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2603 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -241.998 16.688 4.59155 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.569 16.688 4.59155 0.154 protocols.relax.FastRelax: {0} CMD: min -269.876 16.6034 4.46628 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -269.876 16.6034 4.46628 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.59 16.6034 4.46628 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2330 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.213 16.6034 4.46628 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.255 16.6034 4.46628 0.31955 protocols.relax.FastRelax: {0} CMD: min -238.896 16.6571 4.36915 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.896 16.6571 4.36915 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.339 16.6571 4.36915 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 -199.36 16.6571 4.36915 0.55 protocols.relax.FastRelax: {0} CMD: min -215.97 16.6075 4.15169 0.55 protocols.relax.FastRelax: {0} MRP: 3 -215.97 -215.97 16.6075 4.15169 protocols.relax.FastRelax: {0} CMD: accept_to_best -215.97 16.6075 4.15169 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -215.97 16.6075 4.15169 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.97 16.6075 4.15169 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.689 16.6075 4.15169 0.022 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 -288.729 16.6075 4.15169 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.648 16.6075 4.15169 0.02805 protocols.relax.FastRelax: {0} CMD: min -335.613 16.4801 4.74732 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -335.613 16.4801 4.74732 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.785 16.4801 4.74732 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2616 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -221.332 16.4801 4.74732 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.172 16.4801 4.74732 0.154 protocols.relax.FastRelax: {0} CMD: min -274.812 16.5709 4.56682 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.812 16.5709 4.56682 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.035 16.5709 4.56682 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 -235.882 16.5709 4.56682 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.553 16.5709 4.56682 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.189 16.6307 4.49049 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.189 16.6307 4.49049 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.514 16.6307 4.49049 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2353 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -194.599 16.6307 4.49049 0.55 protocols.relax.FastRelax: {0} CMD: min -218.84 16.6281 4.41513 0.55 protocols.relax.FastRelax: {0} MRP: 4 -218.84 -218.84 16.6281 4.41513 protocols.relax.FastRelax: {0} CMD: accept_to_best -218.84 16.6281 4.41513 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -218.84 16.6281 4.41513 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_46.pdb protocols.relax.FastRelax: {0} CMD: repeat 70434 18.5202 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70434 18.5202 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7412.06 18.5202 0 0.022 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 541.631 18.5202 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 564.845 18.5202 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -250.696 15.1453 9.45906 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.696 15.1453 9.45906 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -118.776 15.1453 9.45906 0.14575 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 -150.275 15.1453 9.45906 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.393 15.1453 9.45906 0.154 protocols.relax.FastRelax: {0} CMD: min -201.957 15.3133 9.0851 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.957 15.3133 9.0851 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.415 15.3133 9.0851 0.30745 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 -168.988 15.3133 9.0851 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.054 15.3133 9.0851 0.31955 protocols.relax.FastRelax: {0} CMD: min -185.289 15.4165 9.09188 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.289 15.4165 9.09188 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.299 15.4165 9.09188 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2185 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -151.923 15.4165 9.09188 0.55 protocols.relax.FastRelax: {0} CMD: min -139.088 16.1477 7.00487 0.55 protocols.relax.FastRelax: {0} MRP: 0 -139.088 -139.088 16.1477 7.00487 protocols.relax.FastRelax: {0} CMD: accept_to_best -139.088 16.1477 7.00487 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -139.088 16.1477 7.00487 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -139.088 16.1477 7.00487 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.032 16.1477 7.00487 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2619 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -274.091 16.1477 7.00487 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.461 16.1477 7.00487 0.02805 protocols.relax.FastRelax: {0} CMD: min -306.152 15.8364 7.33565 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -306.152 15.8364 7.33565 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.096 15.8364 7.33565 0.14575 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 -228.614 15.8364 7.33565 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.761 15.8364 7.33565 0.154 protocols.relax.FastRelax: {0} CMD: min -260.723 15.8837 7.387 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.723 15.8837 7.387 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.609 15.8837 7.387 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2482 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -228.045 15.8837 7.387 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.429 15.8837 7.387 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.908 15.879 7.40869 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.908 15.879 7.40869 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.029 15.879 7.40869 0.55 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 -187.612 15.879 7.40869 0.55 protocols.relax.FastRelax: {0} CMD: min -222.453 16.2683 6.92942 0.55 protocols.relax.FastRelax: {0} MRP: 1 -222.453 -222.453 16.2683 6.92942 protocols.relax.FastRelax: {0} CMD: accept_to_best -222.453 16.2683 6.92942 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -222.453 16.2683 6.92942 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.453 16.2683 6.92942 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.705 16.2683 6.92942 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2516 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -284.207 16.2683 6.92942 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.015 16.2683 6.92942 0.02805 protocols.relax.FastRelax: {0} CMD: min -319.972 16.0005 7.10405 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.972 16.0005 7.10405 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.885 16.0005 7.10405 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 -238.019 16.0005 7.10405 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.949 16.0005 7.10405 0.154 protocols.relax.FastRelax: {0} CMD: min -268.028 16.1349 6.87261 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.028 16.1349 6.87261 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.676 16.1349 6.87261 0.30745 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 -233.335 16.1349 6.87261 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.581 16.1349 6.87261 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.769 16.2179 6.79629 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.769 16.2179 6.79629 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.839 16.2179 6.79629 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2233 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.104 16.2179 6.79629 0.55 protocols.relax.FastRelax: {0} CMD: min -223.824 16.2414 7.01736 0.55 protocols.relax.FastRelax: {0} MRP: 2 -223.824 -223.824 16.2414 7.01736 protocols.relax.FastRelax: {0} CMD: accept_to_best -223.824 16.2414 7.01736 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -223.824 16.2414 7.01736 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.824 16.2414 7.01736 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.845 16.2414 7.01736 0.022 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 -285.691 16.2414 7.01736 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.596 16.2414 7.01736 0.02805 protocols.relax.FastRelax: {0} CMD: min -320.538 16.3451 6.55106 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.538 16.3451 6.55106 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.409 16.3451 6.55106 0.14575 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 -227.059 16.3451 6.55106 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.283 16.3451 6.55106 0.154 protocols.relax.FastRelax: {0} CMD: min -273.078 16.4449 6.40452 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.078 16.4449 6.40452 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.273 16.4449 6.40452 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2471 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -237.933 16.4449 6.40452 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.185 16.4449 6.40452 0.31955 protocols.relax.FastRelax: {0} CMD: min -245.736 16.5038 6.38404 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.736 16.5038 6.38404 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.047 16.5038 6.38404 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 -212.384 16.5038 6.38404 0.55 protocols.relax.FastRelax: {0} CMD: min -235.403 16.6268 6.35204 0.55 protocols.relax.FastRelax: {0} MRP: 3 -235.403 -235.403 16.6268 6.35204 protocols.relax.FastRelax: {0} CMD: accept_to_best -235.403 16.6268 6.35204 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -235.403 16.6268 6.35204 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.403 16.6268 6.35204 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -290.37 16.6268 6.35204 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2603 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -302.198 16.6268 6.35204 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.262 16.6268 6.35204 0.02805 protocols.relax.FastRelax: {0} CMD: min -347.861 16.636 6.15388 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -347.861 16.636 6.15388 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.333 16.636 6.15388 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 -229.993 16.636 6.15388 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.238 16.636 6.15388 0.154 protocols.relax.FastRelax: {0} CMD: min -291.827 16.6736 6.22046 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.827 16.6736 6.22046 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.552 16.6736 6.22046 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2833 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -250.469 16.6736 6.22046 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.46 16.6736 6.22046 0.31955 protocols.relax.FastRelax: {0} CMD: min -255.428 16.6376 6.29794 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.428 16.6376 6.29794 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.345 16.6376 6.29794 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2616 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -217.054 16.6376 6.29794 0.55 protocols.relax.FastRelax: {0} CMD: min -237.38 16.6899 6.41146 0.55 protocols.relax.FastRelax: {0} MRP: 4 -237.38 -237.38 16.6899 6.41146 protocols.relax.FastRelax: {0} CMD: accept_to_best -237.38 16.6899 6.41146 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -237.38 16.6899 6.41146 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_28.pdb protocols.relax.FastRelax: {0} CMD: repeat 81522.3 16.5396 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 81522.3 16.5396 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7978.92 16.5396 0 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 205.613 16.5396 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 254.683 16.5396 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -249.492 16.3939 2.99017 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.492 16.3939 2.99017 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -76.2643 16.3939 2.99017 0.14575 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 -104.876 16.3939 2.99017 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -94.8509 16.3939 2.99017 0.154 protocols.relax.FastRelax: {0} CMD: min -204.762 17.0516 3.9121 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.762 17.0516 3.9121 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.964 17.0516 3.9121 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2892 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -149.895 17.0516 3.9121 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -145.474 17.0516 3.9121 0.31955 protocols.relax.FastRelax: {0} CMD: min -157.66 17.045 3.78314 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -157.66 17.045 3.78314 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -96.2177 17.045 3.78314 0.55 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 -97.2207 17.045 3.78314 0.55 protocols.relax.FastRelax: {0} CMD: min -164.417 17.4282 5.22968 0.55 protocols.relax.FastRelax: {0} MRP: 0 -164.417 -164.417 17.4282 5.22968 protocols.relax.FastRelax: {0} CMD: accept_to_best -164.417 17.4282 5.22968 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -164.417 17.4282 5.22968 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -164.417 17.4282 5.22968 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.986 17.4282 5.22968 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 -255.579 17.4282 5.22968 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.477 17.4282 5.22968 0.02805 protocols.relax.FastRelax: {0} CMD: min -297.366 17.1856 5.43662 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.366 17.1856 5.43662 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.571 17.1856 5.43662 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 -186.967 17.1856 5.43662 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.374 17.1856 5.43662 0.154 protocols.relax.FastRelax: {0} CMD: min -237.49 17.1559 5.46444 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.49 17.1559 5.46444 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.446 17.1559 5.46444 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2697 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -191.67 17.1559 5.46444 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.043 17.1559 5.46444 0.31955 protocols.relax.FastRelax: {0} CMD: min -200.901 17.1823 5.47521 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.901 17.1823 5.47521 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.562 17.1823 5.47521 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 -153.633 17.1823 5.47521 0.55 protocols.relax.FastRelax: {0} CMD: min -179.096 16.949 5.1872 0.55 protocols.relax.FastRelax: {0} MRP: 1 -179.096 -179.096 16.949 5.1872 protocols.relax.FastRelax: {0} CMD: accept_to_best -179.096 16.949 5.1872 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -179.096 16.949 5.1872 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -179.096 16.949 5.1872 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.398 16.949 5.1872 0.022 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 -261.872 16.949 5.1872 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.852 16.949 5.1872 0.02805 protocols.relax.FastRelax: {0} CMD: min -309.058 16.2651 5.41608 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.058 16.2651 5.41608 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.747 16.2651 5.41608 0.14575 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 -195.71 16.2651 5.41608 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.522 16.2651 5.41608 0.154 protocols.relax.FastRelax: {0} CMD: min -244.381 16.4583 5.4708 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.381 16.4583 5.4708 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.122 16.4583 5.4708 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2722 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -198.718 16.4583 5.4708 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.099 16.4583 5.4708 0.31955 protocols.relax.FastRelax: {0} CMD: min -206.16 16.6313 5.44784 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.16 16.6313 5.44784 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.247 16.6313 5.44784 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2622 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -159.662 16.6313 5.44784 0.55 protocols.relax.FastRelax: {0} CMD: min -184.325 16.7177 4.95021 0.55 protocols.relax.FastRelax: {0} MRP: 2 -184.325 -184.325 16.7177 4.95021 protocols.relax.FastRelax: {0} CMD: accept_to_best -184.325 16.7177 4.95021 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -184.325 16.7177 4.95021 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -184.325 16.7177 4.95021 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.736 16.7177 4.95021 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 -272.624 16.7177 4.95021 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.122 16.7177 4.95021 0.02805 protocols.relax.FastRelax: {0} CMD: min -313.259 16.2627 5.12192 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -313.259 16.2627 5.12192 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.211 16.2627 5.12192 0.14575 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 -206.993 16.2627 5.12192 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.078 16.2627 5.12192 0.154 protocols.relax.FastRelax: {0} CMD: min -253.498 16.3719 5.29496 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.498 16.3719 5.29496 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.163 16.3719 5.29496 0.30745 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 -207.708 16.3719 5.29496 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.079 16.3719 5.29496 0.31955 protocols.relax.FastRelax: {0} CMD: min -217 16.524 5.2918 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217 16.524 5.2918 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.142 16.524 5.2918 0.55 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 -170.199 16.524 5.2918 0.55 protocols.relax.FastRelax: {0} CMD: min -192.571 16.7186 5.37281 0.55 protocols.relax.FastRelax: {0} MRP: 3 -192.571 -192.571 16.7186 5.37281 protocols.relax.FastRelax: {0} CMD: accept_to_best -192.571 16.7186 5.37281 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -192.571 16.7186 5.37281 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -192.571 16.7186 5.37281 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.923 16.7186 5.37281 0.022 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 -275.037 16.7186 5.37281 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.401 16.7186 5.37281 0.02805 protocols.relax.FastRelax: {0} CMD: min -326.819 16.3671 5.45339 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.819 16.3671 5.45339 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.488 16.3671 5.45339 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2927 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -207.928 16.3671 5.45339 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.296 16.3671 5.45339 0.154 protocols.relax.FastRelax: {0} CMD: min -261.304 16.3839 5.48395 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.304 16.3839 5.48395 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.033 16.3839 5.48395 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2731 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -213.512 16.3839 5.48395 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.743 16.3839 5.48395 0.31955 protocols.relax.FastRelax: {0} CMD: min -221.17 16.475 5.53498 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.17 16.475 5.53498 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.951 16.475 5.53498 0.55 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 -172.35 16.475 5.53498 0.55 protocols.relax.FastRelax: {0} CMD: min -197.96 16.6569 5.49557 0.55 protocols.relax.FastRelax: {0} MRP: 4 -197.96 -197.96 16.6569 5.49557 protocols.relax.FastRelax: {0} CMD: accept_to_best -197.96 16.6569 5.49557 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -197.96 16.6569 5.49557 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_19.pdb protocols.relax.FastRelax: {0} CMD: repeat 69735.7 10.3377 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69735.7 10.3377 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7246.06 10.3377 0 0.022 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 188.822 10.3377 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 238.563 10.3377 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -239.619 10.2119 3.7427 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.619 10.2119 3.7427 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -89.7285 10.2119 3.7427 0.14575 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 -131.411 10.2119 3.7427 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.339 10.2119 3.7427 0.154 protocols.relax.FastRelax: {0} CMD: min -185.84 10.0229 4.30217 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.84 10.0229 4.30217 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -138.334 10.0229 4.30217 0.30745 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 -140.801 10.0229 4.30217 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -137.196 10.0229 4.30217 0.31955 protocols.relax.FastRelax: {0} CMD: min -155.388 9.90223 4.73308 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -155.388 9.90223 4.73308 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -108.585 9.90223 4.73308 0.55 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 -108.989 9.90223 4.73308 0.55 protocols.relax.FastRelax: {0} CMD: min -167.016 9.93231 4.38722 0.55 protocols.relax.FastRelax: {0} MRP: 0 -167.016 -167.016 9.93231 4.38722 protocols.relax.FastRelax: {0} CMD: accept_to_best -167.016 9.93231 4.38722 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -167.016 9.93231 4.38722 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -167.016 9.93231 4.38722 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.388 9.93231 4.38722 0.022 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 -249.075 9.93231 4.38722 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.956 9.93231 4.38722 0.02805 protocols.relax.FastRelax: {0} CMD: min -301.44 10.1953 4.06245 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.44 10.1953 4.06245 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.139 10.1953 4.06245 0.14575 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 -187.746 10.1953 4.06245 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.32 10.1953 4.06245 0.154 protocols.relax.FastRelax: {0} CMD: min -241.624 10.2269 4.22879 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.624 10.2269 4.22879 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.171 10.2269 4.22879 0.30745 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 -197.85 10.2269 4.22879 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.363 10.2269 4.22879 0.31955 protocols.relax.FastRelax: {0} CMD: min -207.531 10.0607 4.31517 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.531 10.0607 4.31517 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.772 10.0607 4.31517 0.55 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 -166.015 10.0607 4.31517 0.55 protocols.relax.FastRelax: {0} CMD: min -190.196 11.1346 4.52166 0.55 protocols.relax.FastRelax: {0} MRP: 1 -190.196 -190.196 11.1346 4.52166 protocols.relax.FastRelax: {0} CMD: accept_to_best -190.196 11.1346 4.52166 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -190.196 11.1346 4.52166 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.196 11.1346 4.52166 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.553 11.1346 4.52166 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2689 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -265.444 11.1346 4.52166 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.224 11.1346 4.52166 0.02805 protocols.relax.FastRelax: {0} CMD: min -303.258 11.4119 4.70731 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.258 11.4119 4.70731 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.37 11.4119 4.70731 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2837 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -194.229 11.4119 4.70731 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.929 11.4119 4.70731 0.154 protocols.relax.FastRelax: {0} CMD: min -252.07 11.2971 4.64114 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.07 11.2971 4.64114 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.853 11.2971 4.64114 0.30745 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 -211.021 11.2971 4.64114 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.718 11.2971 4.64114 0.31955 protocols.relax.FastRelax: {0} CMD: min -217.091 11.3516 4.67099 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.091 11.3516 4.67099 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.821 11.3516 4.67099 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2441 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -173.004 11.3516 4.67099 0.55 protocols.relax.FastRelax: {0} CMD: min -193.141 11.5017 4.76738 0.55 protocols.relax.FastRelax: {0} MRP: 2 -193.141 -193.141 11.5017 4.76738 protocols.relax.FastRelax: {0} CMD: accept_to_best -193.141 11.5017 4.76738 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -193.141 11.5017 4.76738 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.141 11.5017 4.76738 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.559 11.5017 4.76738 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 -267.075 11.5017 4.76738 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.193 11.5017 4.76738 0.02805 protocols.relax.FastRelax: {0} CMD: min -300.252 11.6156 4.9299 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -300.252 11.6156 4.9299 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.277 11.6156 4.9299 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 -212.769 11.6156 4.9299 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.173 11.6156 4.9299 0.154 protocols.relax.FastRelax: {0} CMD: min -252.045 11.704 4.90901 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.045 11.704 4.90901 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.704 11.704 4.90901 0.30745 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 -210.007 11.704 4.90901 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.7 11.704 4.90901 0.31955 protocols.relax.FastRelax: {0} CMD: min -214.592 11.5695 4.80096 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.592 11.5695 4.80096 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.534 11.5695 4.80096 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2515 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -169.801 11.5695 4.80096 0.55 protocols.relax.FastRelax: {0} CMD: min -191.938 11.6555 4.85142 0.55 protocols.relax.FastRelax: {0} MRP: 3 -191.938 -193.141 11.5017 4.76738 protocols.relax.FastRelax: {0} CMD: accept_to_best -191.938 11.6555 4.85142 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -191.938 11.6555 4.85142 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.938 11.6555 4.85142 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.873 11.6555 4.85142 0.022 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 -267.245 11.6555 4.85142 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.882 11.6555 4.85142 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.307 12.3013 5.49537 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.307 12.3013 5.49537 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.808 12.3013 5.49537 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3109 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -191.958 12.3013 5.49537 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.023 12.3013 5.49537 0.154 protocols.relax.FastRelax: {0} CMD: min -257.211 12.6246 5.76058 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.211 12.6246 5.76058 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.571 12.6246 5.76058 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3009 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.944 12.6246 5.76058 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.165 12.6246 5.76058 0.31955 protocols.relax.FastRelax: {0} CMD: min -217.824 12.6542 5.74837 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.824 12.6542 5.74837 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.067 12.6542 5.74837 0.55 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 -167.872 12.6542 5.74837 0.55 protocols.relax.FastRelax: {0} CMD: min -201.646 12.6675 5.85361 0.55 protocols.relax.FastRelax: {0} MRP: 4 -201.646 -201.646 12.6675 5.85361 protocols.relax.FastRelax: {0} CMD: accept_to_best -201.646 12.6675 5.85361 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -201.646 12.6675 5.85361 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_43.pdb protocols.relax.FastRelax: {0} CMD: repeat 71011.5 13.5897 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71011.5 13.5897 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6625.19 13.5897 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3016 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 161.245 13.5897 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 194.383 13.5897 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -264.037 13.282 2.03394 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.037 13.282 2.03394 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -141.093 13.282 2.03394 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 -155.468 13.282 2.03394 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.481 13.282 2.03394 0.154 protocols.relax.FastRelax: {0} CMD: min -211.024 13.3061 2.31818 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.024 13.3061 2.31818 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.668 13.3061 2.31818 0.30745 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 -167.563 13.3061 2.31818 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.104 13.3061 2.31818 0.31955 protocols.relax.FastRelax: {0} CMD: min -173.593 13.2823 2.3557 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -173.593 13.2823 2.3557 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -125.982 13.2823 2.3557 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 -126.578 13.2823 2.3557 0.55 protocols.relax.FastRelax: {0} CMD: min -183.918 13.8088 3.9229 0.55 protocols.relax.FastRelax: {0} MRP: 0 -183.918 -183.918 13.8088 3.9229 protocols.relax.FastRelax: {0} CMD: accept_to_best -183.918 13.8088 3.9229 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -183.918 13.8088 3.9229 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -183.918 13.8088 3.9229 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.933 13.8088 3.9229 0.022 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 -269.509 13.8088 3.9229 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.242 13.8088 3.9229 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.289 13.9834 3.9892 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.289 13.9834 3.9892 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -136.638 13.9834 3.9892 0.14575 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 -182.298 13.9834 3.9892 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.662 13.9834 3.9892 0.154 protocols.relax.FastRelax: {0} CMD: min -255.161 13.9677 4.34356 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.161 13.9677 4.34356 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.734 13.9677 4.34356 0.30745 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 -212.724 13.9677 4.34356 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.41 13.9677 4.34356 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.244 13.9308 4.29501 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.244 13.9308 4.29501 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.138 13.9308 4.29501 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2680 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -178.76 13.9308 4.29501 0.55 protocols.relax.FastRelax: {0} CMD: min -204.638 14.554 4.98667 0.55 protocols.relax.FastRelax: {0} MRP: 1 -204.638 -204.638 14.554 4.98667 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.638 14.554 4.98667 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.638 14.554 4.98667 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.638 14.554 4.98667 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.62 14.554 4.98667 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2979 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -285.02 14.554 4.98667 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.904 14.554 4.98667 0.02805 protocols.relax.FastRelax: {0} CMD: min -333.009 14.6335 5.10275 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -333.009 14.6335 5.10275 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.894 14.6335 5.10275 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 -209.084 14.6335 5.10275 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.647 14.6335 5.10275 0.154 protocols.relax.FastRelax: {0} CMD: min -267.968 14.5448 5.05139 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.968 14.5448 5.05139 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.606 14.5448 5.05139 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 -227.009 14.5448 5.05139 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.702 14.5448 5.05139 0.31955 protocols.relax.FastRelax: {0} CMD: min -233.573 14.5624 5.14504 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.573 14.5624 5.14504 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.588 14.5624 5.14504 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2627 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -190.718 14.5624 5.14504 0.55 protocols.relax.FastRelax: {0} CMD: min -220.722 14.6609 5.36657 0.55 protocols.relax.FastRelax: {0} MRP: 2 -220.722 -220.722 14.6609 5.36657 protocols.relax.FastRelax: {0} CMD: accept_to_best -220.722 14.6609 5.36657 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -220.722 14.6609 5.36657 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.722 14.6609 5.36657 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.237 14.6609 5.36657 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3009 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -290.351 14.6609 5.36657 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.841 14.6609 5.36657 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.993 14.7779 5.39285 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.993 14.7779 5.39285 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.602 14.7779 5.39285 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3030 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -248.17 14.7779 5.39285 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.868 14.7779 5.39285 0.154 protocols.relax.FastRelax: {0} CMD: min -275.101 14.7541 5.46664 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.101 14.7541 5.46664 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.59 14.7541 5.46664 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 -238.853 14.7541 5.46664 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.985 14.7541 5.46664 0.31955 protocols.relax.FastRelax: {0} CMD: min -245.649 14.7532 5.4552 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.649 14.7532 5.4552 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.634 14.7532 5.4552 0.55 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 -208.652 14.7532 5.4552 0.55 protocols.relax.FastRelax: {0} CMD: min -228.986 15.0486 5.59 0.55 protocols.relax.FastRelax: {0} MRP: 3 -228.986 -228.986 15.0486 5.59 protocols.relax.FastRelax: {0} CMD: accept_to_best -228.986 15.0486 5.59 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -228.986 15.0486 5.59 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.986 15.0486 5.59 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.737 15.0486 5.59 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3177 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -302.573 15.0486 5.59 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.959 15.0486 5.59 0.02805 protocols.relax.FastRelax: {0} CMD: min -355.811 15.2008 5.68286 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -355.811 15.2008 5.68286 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.409 15.2008 5.68286 0.14575 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 -231.285 15.2008 5.68286 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.497 15.2008 5.68286 0.154 protocols.relax.FastRelax: {0} CMD: min -293.192 15.1177 5.64826 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -293.192 15.1177 5.64826 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.676 15.1177 5.64826 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2753 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -251.136 15.1177 5.64826 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.819 15.1177 5.64826 0.31955 protocols.relax.FastRelax: {0} CMD: min -257.466 15.0323 5.57154 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.466 15.0323 5.57154 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.846 15.0323 5.57154 0.55 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 -213.792 15.0323 5.57154 0.55 protocols.relax.FastRelax: {0} CMD: min -234.622 14.9432 5.48526 0.55 protocols.relax.FastRelax: {0} MRP: 4 -234.622 -234.622 14.9432 5.48526 protocols.relax.FastRelax: {0} CMD: accept_to_best -234.622 14.9432 5.48526 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -234.622 14.9432 5.48526 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_29.pdb protocols.relax.FastRelax: {0} CMD: repeat 68182.5 12.539 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68182.5 12.539 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7502.98 12.539 0 0.022 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 119.51 12.539 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 142.275 12.539 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -294.635 12.8037 3.30107 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.635 12.8037 3.30107 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -103.58 12.8037 3.30107 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3571 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -155.95 12.8037 3.30107 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.495 12.8037 3.30107 0.154 protocols.relax.FastRelax: {0} CMD: min -257.148 13.123 3.48091 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.148 13.123 3.48091 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.597 13.123 3.48091 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3410 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -209.074 13.123 3.48091 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.897 13.123 3.48091 0.31955 protocols.relax.FastRelax: {0} CMD: min -221.472 13.0345 3.25589 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.472 13.0345 3.25589 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.953 13.0345 3.25589 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3043 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -171.052 13.0345 3.25589 0.55 protocols.relax.FastRelax: {0} CMD: min -219.58 13.0115 2.85373 0.55 protocols.relax.FastRelax: {0} MRP: 0 -219.58 -219.58 13.0115 2.85373 protocols.relax.FastRelax: {0} CMD: accept_to_best -219.58 13.0115 2.85373 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -219.58 13.0115 2.85373 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.58 13.0115 2.85373 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.668 13.0115 2.85373 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3329 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -308.962 13.0115 2.85373 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -304.767 13.0115 2.85373 0.02805 protocols.relax.FastRelax: {0} CMD: min -362.462 13.1968 3.59094 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -362.462 13.1968 3.59094 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.392 13.1968 3.59094 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3688 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -239.756 13.1968 3.59094 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.426 13.1968 3.59094 0.154 protocols.relax.FastRelax: {0} CMD: min -286.667 13.2127 3.34691 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -286.667 13.2127 3.34691 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.621 13.2127 3.34691 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3396 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -235.364 13.2127 3.34691 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.163 13.2127 3.34691 0.31955 protocols.relax.FastRelax: {0} CMD: min -255.56 13.1692 3.22846 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.56 13.1692 3.22846 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.975 13.1692 3.22846 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3176 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.384 13.1692 3.22846 0.55 protocols.relax.FastRelax: {0} CMD: min -234.424 12.938 3.08226 0.55 protocols.relax.FastRelax: {0} MRP: 1 -234.424 -234.424 12.938 3.08226 protocols.relax.FastRelax: {0} CMD: accept_to_best -234.424 12.938 3.08226 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -234.424 12.938 3.08226 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.424 12.938 3.08226 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -309.337 12.938 3.08226 0.022 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 -324.038 12.938 3.08226 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -320.814 12.938 3.08226 0.02805 protocols.relax.FastRelax: {0} CMD: min -379.258 12.8564 3.43925 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -379.258 12.8564 3.43925 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.64 12.8564 3.43925 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3611 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -240.863 12.8564 3.43925 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.946 12.8564 3.43925 0.154 protocols.relax.FastRelax: {0} CMD: min -304.337 13.0087 3.36123 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.337 13.0087 3.36123 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.583 13.0087 3.36123 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3396 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -255.759 13.0087 3.36123 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.828 13.0087 3.36123 0.31955 protocols.relax.FastRelax: {0} CMD: min -262.653 12.9754 3.22841 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.653 12.9754 3.22841 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.835 12.9754 3.22841 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3052 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.245 12.9754 3.22841 0.55 protocols.relax.FastRelax: {0} CMD: min -236.569 13.0598 3.29419 0.55 protocols.relax.FastRelax: {0} MRP: 2 -236.569 -236.569 13.0598 3.29419 protocols.relax.FastRelax: {0} CMD: accept_to_best -236.569 13.0598 3.29419 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -236.569 13.0598 3.29419 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.569 13.0598 3.29419 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -313.157 13.0598 3.29419 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3420 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -328.752 13.0598 3.29419 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -325.67 13.0598 3.29419 0.02805 protocols.relax.FastRelax: {0} CMD: min -385.003 13.2194 3.74738 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -385.003 13.2194 3.74738 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.186 13.2194 3.74738 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3696 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -252.645 13.2194 3.74738 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.447 13.2194 3.74738 0.154 protocols.relax.FastRelax: {0} CMD: min -309.694 13.2269 3.67619 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.694 13.2269 3.67619 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.08 13.2269 3.67619 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3463 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -260.443 13.2269 3.67619 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.552 13.2269 3.67619 0.31955 protocols.relax.FastRelax: {0} CMD: min -268.992 13.2311 3.65008 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.992 13.2311 3.65008 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.536 13.2311 3.65008 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3244 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -216.714 13.2311 3.65008 0.55 protocols.relax.FastRelax: {0} CMD: min -237.291 13.1286 3.6166 0.55 protocols.relax.FastRelax: {0} MRP: 3 -237.291 -237.291 13.1286 3.6166 protocols.relax.FastRelax: {0} CMD: accept_to_best -237.291 13.1286 3.6166 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -237.291 13.1286 3.6166 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.291 13.1286 3.6166 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -314.809 13.1286 3.6166 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3534 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -330.627 13.1286 3.6166 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -327.62 13.1286 3.6166 0.02805 protocols.relax.FastRelax: {0} CMD: min -382.933 12.9618 3.60138 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -382.933 12.9618 3.60138 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.569 12.9618 3.60138 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3789 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -253.349 12.9618 3.60138 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.813 12.9618 3.60138 0.154 protocols.relax.FastRelax: {0} CMD: min -311.439 13.1743 3.65325 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.439 13.1743 3.65325 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.352 13.1743 3.65325 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3804 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -262.686 13.1743 3.65325 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.862 13.1743 3.65325 0.31955 protocols.relax.FastRelax: {0} CMD: min -268.273 13.1524 3.60871 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.273 13.1524 3.60871 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.258 13.1524 3.60871 0.55 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 -216.803 13.1524 3.60871 0.55 protocols.relax.FastRelax: {0} CMD: min -243.78 13.1722 3.51171 0.55 protocols.relax.FastRelax: {0} MRP: 4 -243.78 -243.78 13.1722 3.51171 protocols.relax.FastRelax: {0} CMD: accept_to_best -243.78 13.1722 3.51171 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -243.78 13.1722 3.51171 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_13.pdb protocols.relax.FastRelax: {0} CMD: repeat 71897.4 9.04924 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71897.4 9.04924 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7326.26 9.04924 0 0.022 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 85.7873 9.04924 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 98.6524 9.04924 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -202.827 9.42693 3.53756 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.827 9.42693 3.53756 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 152.847 9.42693 3.53756 0.14575 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 -144.27 9.42693 3.53756 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -137.512 9.42693 3.53756 0.154 protocols.relax.FastRelax: {0} CMD: min -211.679 9.66451 4.04403 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.679 9.66451 4.04403 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.685 9.66451 4.04403 0.30745 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 -166.223 9.66451 4.04403 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -162.547 9.66451 4.04403 0.31955 protocols.relax.FastRelax: {0} CMD: min -177.347 9.64374 4.07751 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.347 9.64374 4.07751 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -130.727 9.64374 4.07751 0.55 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 -132.944 9.64374 4.07751 0.55 protocols.relax.FastRelax: {0} CMD: min -179.763 9.56185 4.68298 0.55 protocols.relax.FastRelax: {0} MRP: 0 -179.763 -179.763 9.56185 4.68298 protocols.relax.FastRelax: {0} CMD: accept_to_best -179.763 9.56185 4.68298 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -179.763 9.56185 4.68298 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -179.763 9.56185 4.68298 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.454 9.56185 4.68298 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 -264.567 9.56185 4.68298 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.088 9.56185 4.68298 0.02805 protocols.relax.FastRelax: {0} CMD: min -324.588 10.1325 5.69529 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -324.588 10.1325 5.69529 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.589 10.1325 5.69529 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3243 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -191.649 10.1325 5.69529 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.083 10.1325 5.69529 0.154 protocols.relax.FastRelax: {0} CMD: min -267.436 10.3399 6.23374 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.436 10.3399 6.23374 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.887 10.3399 6.23374 0.30745 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 -220.106 10.3399 6.23374 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.228 10.3399 6.23374 0.31955 protocols.relax.FastRelax: {0} CMD: min -232.497 10.2858 6.24904 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -232.497 10.2858 6.24904 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.928 10.2858 6.24904 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 -184.717 10.2858 6.24904 0.55 protocols.relax.FastRelax: {0} CMD: min -213.01 10.5219 6.49475 0.55 protocols.relax.FastRelax: {0} MRP: 1 -213.01 -213.01 10.5219 6.49475 protocols.relax.FastRelax: {0} CMD: accept_to_best -213.01 10.5219 6.49475 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -213.01 10.5219 6.49475 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.01 10.5219 6.49475 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.715 10.5219 6.49475 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2983 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -288.927 10.5219 6.49475 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.385 10.5219 6.49475 0.02805 protocols.relax.FastRelax: {0} CMD: min -347.111 10.6882 6.8718 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -347.111 10.6882 6.8718 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.762 10.6882 6.8718 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 -228.373 10.6882 6.8718 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.906 10.6882 6.8718 0.154 protocols.relax.FastRelax: {0} CMD: min -282.169 10.614 6.69338 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.169 10.614 6.69338 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.462 10.614 6.69338 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 -235.501 10.614 6.69338 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.834 10.614 6.69338 0.31955 protocols.relax.FastRelax: {0} CMD: min -243.692 10.5231 6.55623 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.692 10.5231 6.55623 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.143 10.5231 6.55623 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 -197.023 10.5231 6.55623 0.55 protocols.relax.FastRelax: {0} CMD: min -217.168 10.3732 6.31735 0.55 protocols.relax.FastRelax: {0} MRP: 2 -217.168 -217.168 10.3732 6.31735 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.168 10.3732 6.31735 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.168 10.3732 6.31735 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.168 10.3732 6.31735 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.847 10.3732 6.31735 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3085 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -296.32 10.3732 6.31735 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.555 10.3732 6.31735 0.02805 protocols.relax.FastRelax: {0} CMD: min -344.088 10.466 6.53739 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -344.088 10.466 6.53739 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.097 10.466 6.53739 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 -232.075 10.466 6.53739 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.295 10.466 6.53739 0.154 protocols.relax.FastRelax: {0} CMD: min -275.588 10.3288 6.30405 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.588 10.3288 6.30405 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.462 10.3288 6.30405 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2933 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -227.254 10.3288 6.30405 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.433 10.3288 6.30405 0.31955 protocols.relax.FastRelax: {0} CMD: min -244.132 10.3372 6.30483 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.132 10.3372 6.30483 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.231 10.3372 6.30483 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2786 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -201.316 10.3372 6.30483 0.55 protocols.relax.FastRelax: {0} CMD: min -218.782 10.1888 6.12879 0.55 protocols.relax.FastRelax: {0} MRP: 3 -218.782 -218.782 10.1888 6.12879 protocols.relax.FastRelax: {0} CMD: accept_to_best -218.782 10.1888 6.12879 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -218.782 10.1888 6.12879 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.782 10.1888 6.12879 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.336 10.1888 6.12879 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3158 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -299.881 10.1888 6.12879 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.846 10.1888 6.12879 0.02805 protocols.relax.FastRelax: {0} CMD: min -356.197 10.3149 6.51338 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -356.197 10.3149 6.51338 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.461 10.3149 6.51338 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3247 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.47 10.3149 6.51338 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.822 10.3149 6.51338 0.154 protocols.relax.FastRelax: {0} CMD: min -288.044 10.2364 6.28403 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.044 10.2364 6.28403 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.213 10.2364 6.28403 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 -242.811 10.2364 6.28403 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.237 10.2364 6.28403 0.31955 protocols.relax.FastRelax: {0} CMD: min -247.3 10.189 6.20027 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.3 10.189 6.20027 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.81 10.189 6.20027 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 -199.46 10.189 6.20027 0.55 protocols.relax.FastRelax: {0} CMD: min -227.104 10.1971 6.15537 0.55 protocols.relax.FastRelax: {0} MRP: 4 -227.104 -227.104 10.1971 6.15537 protocols.relax.FastRelax: {0} CMD: accept_to_best -227.104 10.1971 6.15537 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -227.104 10.1971 6.15537 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_26.pdb protocols.relax.FastRelax: {0} CMD: repeat 70663.1 13.94 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70663.1 13.94 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6588.38 13.94 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2480 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -149.871 13.94 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.924 13.94 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -295.05 13.6561 3.34165 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.05 13.6561 3.34165 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -127.723 13.6561 3.34165 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2779 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -156.388 13.6561 3.34165 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -147.544 13.6561 3.34165 0.154 protocols.relax.FastRelax: {0} CMD: min -250.832 13.4832 4.14328 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.832 13.4832 4.14328 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.509 13.4832 4.14328 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2731 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 13.4832 4.14328 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.873 13.4832 4.14328 0.31955 protocols.relax.FastRelax: {0} CMD: min -214.983 13.5045 4.12393 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.983 13.5045 4.12393 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.225 13.5045 4.12393 0.55 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 -169.292 13.5045 4.12393 0.55 protocols.relax.FastRelax: {0} CMD: min -223.885 13.4807 4.59754 0.55 protocols.relax.FastRelax: {0} MRP: 0 -223.885 -223.885 13.4807 4.59754 protocols.relax.FastRelax: {0} CMD: accept_to_best -223.885 13.4807 4.59754 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -223.885 13.4807 4.59754 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.885 13.4807 4.59754 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.03 13.4807 4.59754 0.022 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 -304.689 13.4807 4.59754 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.249 13.4807 4.59754 0.02805 protocols.relax.FastRelax: {0} CMD: min -355.645 13.1485 4.69031 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -355.645 13.1485 4.69031 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.997 13.1485 4.69031 0.14575 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 -234.887 13.1485 4.69031 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.96 13.1485 4.69031 0.154 protocols.relax.FastRelax: {0} CMD: min -280.126 12.5973 5.0461 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.126 12.5973 5.0461 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.599 12.5973 5.0461 0.30745 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 -237.25 12.5973 5.0461 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.691 12.5973 5.0461 0.31955 protocols.relax.FastRelax: {0} CMD: min -249.732 12.5172 4.73076 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.732 12.5172 4.73076 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.484 12.5172 4.73076 0.55 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 -205.455 12.5172 4.73076 0.55 protocols.relax.FastRelax: {0} CMD: min -241.216 12.3124 5.72591 0.55 protocols.relax.FastRelax: {0} MRP: 1 -241.216 -241.216 12.3124 5.72591 protocols.relax.FastRelax: {0} CMD: accept_to_best -241.216 12.3124 5.72591 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -241.216 12.3124 5.72591 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.216 12.3124 5.72591 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308.278 12.3124 5.72591 0.022 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 -325.458 12.3124 5.72591 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -321.652 12.3124 5.72591 0.02805 protocols.relax.FastRelax: {0} CMD: min -377.866 12.4432 5.80413 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -377.866 12.4432 5.80413 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.321 12.4432 5.80413 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 -226.463 12.4432 5.80413 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.316 12.4432 5.80413 0.154 protocols.relax.FastRelax: {0} CMD: min -310.32 12.3414 5.71021 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.32 12.3414 5.71021 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.185 12.3414 5.71021 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 -261.904 12.3414 5.71021 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.164 12.3414 5.71021 0.31955 protocols.relax.FastRelax: {0} CMD: min -271.866 12.3714 5.70101 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.866 12.3714 5.70101 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.338 12.3714 5.70101 0.55 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 -228.391 12.3714 5.70101 0.55 protocols.relax.FastRelax: {0} CMD: min -253.411 12.3343 5.70735 0.55 protocols.relax.FastRelax: {0} MRP: 2 -253.411 -253.411 12.3343 5.70735 protocols.relax.FastRelax: {0} CMD: accept_to_best -253.411 12.3343 5.70735 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -253.411 12.3343 5.70735 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.411 12.3343 5.70735 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -320.502 12.3343 5.70735 0.022 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 -330.383 12.3343 5.70735 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -328.569 12.3343 5.70735 0.02805 protocols.relax.FastRelax: {0} CMD: min -380.205 12.4069 5.82695 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -380.205 12.4069 5.82695 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.226 12.4069 5.82695 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3036 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -230.9 12.4069 5.82695 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.197 12.4069 5.82695 0.154 protocols.relax.FastRelax: {0} CMD: min -315.637 12.3276 5.7056 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -315.637 12.3276 5.7056 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.296 12.3276 5.7056 0.30745 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 -269.611 12.3276 5.7056 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.946 12.3276 5.7056 0.31955 protocols.relax.FastRelax: {0} CMD: min -276.65 12.3161 5.66531 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -276.65 12.3161 5.66531 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.478 12.3161 5.66531 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 -228.74 12.3161 5.66531 0.55 protocols.relax.FastRelax: {0} CMD: min -251.602 12.279 5.7755 0.55 protocols.relax.FastRelax: {0} MRP: 3 -251.602 -253.411 12.3343 5.70735 protocols.relax.FastRelax: {0} CMD: accept_to_best -251.602 12.279 5.7755 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -251.602 12.279 5.7755 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.602 12.279 5.7755 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -320.083 12.279 5.7755 0.022 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 -331.462 12.279 5.7755 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -329.525 12.279 5.7755 0.02805 protocols.relax.FastRelax: {0} CMD: min -388.287 12.2921 5.72089 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -388.287 12.2921 5.72089 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.505 12.2921 5.72089 0.14575 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 -228.34 12.2921 5.72089 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.123 12.2921 5.72089 0.154 protocols.relax.FastRelax: {0} CMD: min -312.875 12.3872 5.72061 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.875 12.3872 5.72061 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.215 12.3872 5.72061 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 -263.355 12.3872 5.72061 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.384 12.3872 5.72061 0.31955 protocols.relax.FastRelax: {0} CMD: min -275.834 12.417 5.70742 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.834 12.417 5.70742 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.372 12.417 5.70742 0.55 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 -230.71 12.417 5.70742 0.55 protocols.relax.FastRelax: {0} CMD: min -252.884 12.2319 5.85241 0.55 protocols.relax.FastRelax: {0} MRP: 4 -252.884 -253.411 12.3343 5.70735 protocols.relax.FastRelax: {0} CMD: accept_to_best -252.884 12.2319 5.85241 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -252.884 12.2319 5.85241 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_31.pdb protocols.relax.FastRelax: {0} CMD: repeat 65114.2 11.9018 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 65114.2 11.9018 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7591.46 11.9018 0 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 76.9024 11.9018 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 91.0026 11.9018 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -275.193 12.2471 3.06607 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.193 12.2471 3.06607 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.132 12.2471 3.06607 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 -161.605 12.2471 3.06607 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.9 12.2471 3.06607 0.154 protocols.relax.FastRelax: {0} CMD: min -220.489 12.3688 2.71744 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.489 12.3688 2.71744 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.286 12.3688 2.71744 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 -179.888 12.3688 2.71744 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.627 12.3688 2.71744 0.31955 protocols.relax.FastRelax: {0} CMD: min -191.868 12.4268 2.79246 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.868 12.4268 2.79246 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.542 12.4268 2.79246 0.55 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 -148.872 12.4268 2.79246 0.55 protocols.relax.FastRelax: {0} CMD: min -202.39 13.0426 3.41793 0.55 protocols.relax.FastRelax: {0} MRP: 0 -202.39 -202.39 13.0426 3.41793 protocols.relax.FastRelax: {0} CMD: accept_to_best -202.39 13.0426 3.41793 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -202.39 13.0426 3.41793 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.39 13.0426 3.41793 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.27 13.0426 3.41793 0.022 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 -270.694 13.0426 3.41793 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.519 13.0426 3.41793 0.02805 protocols.relax.FastRelax: {0} CMD: min -312.255 13.0094 3.44512 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.255 13.0094 3.44512 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.829 13.0094 3.44512 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2703 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.203 13.0094 3.44512 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.344 13.0094 3.44512 0.154 protocols.relax.FastRelax: {0} CMD: min -266.873 13.0378 3.34554 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.873 13.0378 3.34554 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.456 13.0378 3.34554 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2544 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -231.13 13.0378 3.34554 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.274 13.0378 3.34554 0.31955 protocols.relax.FastRelax: {0} CMD: min -236.43 13.0723 3.42505 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.43 13.0723 3.42505 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.194 13.0723 3.42505 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 -198.208 13.0723 3.42505 0.55 protocols.relax.FastRelax: {0} CMD: min -217.786 13.1686 3.64681 0.55 protocols.relax.FastRelax: {0} MRP: 1 -217.786 -217.786 13.1686 3.64681 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.786 13.1686 3.64681 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.786 13.1686 3.64681 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.786 13.1686 3.64681 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -273.493 13.1686 3.64681 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 -277.598 13.1686 3.64681 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.281 13.1686 3.64681 0.02805 protocols.relax.FastRelax: {0} CMD: min -317.518 12.9775 3.52219 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.518 12.9775 3.52219 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.335 12.9775 3.52219 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 -225.02 12.9775 3.52219 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.78 12.9775 3.52219 0.154 protocols.relax.FastRelax: {0} CMD: min -272.326 13.1907 3.68068 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.326 13.1907 3.68068 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.936 13.1907 3.68068 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2376 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -237.867 13.1907 3.68068 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.089 13.1907 3.68068 0.31955 protocols.relax.FastRelax: {0} CMD: min -242.705 13.2113 3.66884 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.705 13.2113 3.66884 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.175 13.2113 3.66884 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 -204.968 13.2113 3.66884 0.55 protocols.relax.FastRelax: {0} CMD: min -223.913 13.215 3.77661 0.55 protocols.relax.FastRelax: {0} MRP: 2 -223.913 -223.913 13.215 3.77661 protocols.relax.FastRelax: {0} CMD: accept_to_best -223.913 13.215 3.77661 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -223.913 13.215 3.77661 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.913 13.215 3.77661 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.641 13.215 3.77661 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2692 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -284.983 13.215 3.77661 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.551 13.215 3.77661 0.02805 protocols.relax.FastRelax: {0} CMD: min -326.761 13.1173 3.65824 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.761 13.1173 3.65824 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.704 13.1173 3.65824 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 -232.058 13.1173 3.65824 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.042 13.1173 3.65824 0.154 protocols.relax.FastRelax: {0} CMD: min -275.42 13.1853 3.75235 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.42 13.1853 3.75235 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.757 13.1853 3.75235 0.30745 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 -238.133 13.1853 3.75235 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.145 13.1853 3.75235 0.31955 protocols.relax.FastRelax: {0} CMD: min -244.517 13.2314 3.80982 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.517 13.2314 3.80982 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.451 13.2314 3.80982 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2358 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -205.857 13.2314 3.80982 0.55 protocols.relax.FastRelax: {0} CMD: min -224.994 13.1622 3.92309 0.55 protocols.relax.FastRelax: {0} MRP: 3 -224.994 -224.994 13.1622 3.92309 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.994 13.1622 3.92309 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.994 13.1622 3.92309 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.994 13.1622 3.92309 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.367 13.1622 3.92309 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2553 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -280.999 13.1622 3.92309 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.672 13.1622 3.92309 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.431 12.9707 3.79901 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.431 12.9707 3.79901 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.884 12.9707 3.79901 0.14575 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 -239.941 12.9707 3.79901 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.689 12.9707 3.79901 0.154 protocols.relax.FastRelax: {0} CMD: min -270.275 13.0601 3.77929 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.275 13.0601 3.77929 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.941 13.0601 3.77929 0.30745 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 -231.51 13.0601 3.77929 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.427 13.0601 3.77929 0.31955 protocols.relax.FastRelax: {0} CMD: min -245.774 13.0887 3.82604 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.774 13.0887 3.82604 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.745 13.0887 3.82604 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2331 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -210.898 13.0887 3.82604 0.55 protocols.relax.FastRelax: {0} CMD: min -224.773 13.2323 4.07003 0.55 protocols.relax.FastRelax: {0} MRP: 4 -224.773 -224.994 13.1622 3.92309 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.773 13.2323 4.07003 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.773 13.2323 4.07003 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_24.pdb protocols.relax.FastRelax: {0} CMD: repeat 73247.1 13.7156 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73247.1 13.7156 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7672.54 13.7156 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2337 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 106.962 13.7156 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 124.973 13.7156 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -238.72 14.7289 4.84667 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.72 14.7289 4.84667 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -109.908 14.7289 4.84667 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2387 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -165.634 14.7289 4.84667 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.213 14.7289 4.84667 0.154 protocols.relax.FastRelax: {0} CMD: min -211.19 14.8561 5.17185 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.19 14.8561 5.17185 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.743 14.8561 5.17185 0.30745 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 -175.233 14.8561 5.17185 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.242 14.8561 5.17185 0.31955 protocols.relax.FastRelax: {0} CMD: min -192.692 14.8535 5.48735 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -192.692 14.8535 5.48735 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.421 14.8535 5.48735 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2050 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -157.886 14.8535 5.48735 0.55 protocols.relax.FastRelax: {0} CMD: min -211.02 14.9493 6.06273 0.55 protocols.relax.FastRelax: {0} MRP: 0 -211.02 -211.02 14.9493 6.06273 protocols.relax.FastRelax: {0} CMD: accept_to_best -211.02 14.9493 6.06273 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -211.02 14.9493 6.06273 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.02 14.9493 6.06273 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.907 14.9493 6.06273 0.022 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 -273.784 14.9493 6.06273 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.368 14.9493 6.06273 0.02805 protocols.relax.FastRelax: {0} CMD: min -304.357 14.1242 5.05588 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.357 14.1242 5.05588 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.215 14.1242 5.05588 0.14575 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 -238.688 14.1242 5.05588 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.031 14.1242 5.05588 0.154 protocols.relax.FastRelax: {0} CMD: min -263.865 14.1685 5.0148 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.865 14.1685 5.0148 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.178 14.1685 5.0148 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2516 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -234.197 14.1685 5.0148 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.793 14.1685 5.0148 0.31955 protocols.relax.FastRelax: {0} CMD: min -234.555 14.1422 4.96451 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -234.555 14.1422 4.96451 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.255 14.1422 4.96451 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2376 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -195.216 14.1422 4.96451 0.55 protocols.relax.FastRelax: {0} CMD: min -225.148 13.8071 4.65978 0.55 protocols.relax.FastRelax: {0} MRP: 1 -225.148 -225.148 13.8071 4.65978 protocols.relax.FastRelax: {0} CMD: accept_to_best -225.148 13.8071 4.65978 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -225.148 13.8071 4.65978 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.148 13.8071 4.65978 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.504 13.8071 4.65978 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2189 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -280.222 13.8071 4.65978 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.911 13.8071 4.65978 0.02805 protocols.relax.FastRelax: {0} CMD: min -306.754 14.1149 5.36212 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -306.754 14.1149 5.36212 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.491 14.1149 5.36212 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2694 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -246.2 14.1149 5.36212 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.402 14.1149 5.36212 0.154 protocols.relax.FastRelax: {0} CMD: min -267.954 14.2146 5.65616 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.954 14.2146 5.65616 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.949 14.2146 5.65616 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2387 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -240.834 14.2146 5.65616 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.62 14.2146 5.65616 0.31955 protocols.relax.FastRelax: {0} CMD: min -246.268 14.1393 5.48675 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.268 14.1393 5.48675 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.907 14.1393 5.48675 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2338 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -215.316 14.1393 5.48675 0.55 protocols.relax.FastRelax: {0} CMD: min -230.083 14.2574 5.92993 0.55 protocols.relax.FastRelax: {0} MRP: 2 -230.083 -230.083 14.2574 5.92993 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.083 14.2574 5.92993 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.083 14.2574 5.92993 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.083 14.2574 5.92993 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.987 14.2574 5.92993 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 -286.416 14.2574 5.92993 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.058 14.2574 5.92993 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.315 14.4519 6.0796 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.315 14.4519 6.0796 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.417 14.4519 6.0796 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2479 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -254.131 14.4519 6.0796 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.55 14.4519 6.0796 0.154 protocols.relax.FastRelax: {0} CMD: min -274.812 14.4073 6.07069 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.812 14.4073 6.07069 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.701 14.4073 6.07069 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2362 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -246.687 14.4073 6.07069 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.417 14.4073 6.07069 0.31955 protocols.relax.FastRelax: {0} CMD: min -246.556 14.3948 6.03278 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.556 14.3948 6.03278 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.306 14.3948 6.03278 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2316 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -209.331 14.3948 6.03278 0.55 protocols.relax.FastRelax: {0} CMD: min -230.132 14.3895 6.12616 0.55 protocols.relax.FastRelax: {0} MRP: 3 -230.132 -230.132 14.3895 6.12616 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.132 14.3895 6.12616 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.132 14.3895 6.12616 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.132 14.3895 6.12616 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.723 14.3895 6.12616 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2368 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -287.689 14.3895 6.12616 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.318 14.3895 6.12616 0.02805 protocols.relax.FastRelax: {0} CMD: min -316.292 14.5392 6.17991 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -316.292 14.5392 6.17991 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.789 14.5392 6.17991 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2697 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -250.199 14.5392 6.17991 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.076 14.5392 6.17991 0.154 protocols.relax.FastRelax: {0} CMD: min -277.024 14.4762 6.1182 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.024 14.4762 6.1182 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.931 14.4762 6.1182 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2415 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -248.051 14.4762 6.1182 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.705 14.4762 6.1182 0.31955 protocols.relax.FastRelax: {0} CMD: min -252.298 14.5048 6.203 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.298 14.5048 6.203 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.149 14.5048 6.203 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2287 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.518 14.5048 6.203 0.55 protocols.relax.FastRelax: {0} CMD: min -231.777 14.4643 6.17276 0.55 protocols.relax.FastRelax: {0} MRP: 4 -231.777 -231.777 14.4643 6.17276 protocols.relax.FastRelax: {0} CMD: accept_to_best -231.777 14.4643 6.17276 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -231.777 14.4643 6.17276 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_3.pdb protocols.relax.FastRelax: {0} CMD: repeat 78054.8 17.8226 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 78054.8 17.8226 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7626.07 17.8226 0 0.022 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 -32.7614 17.8226 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 3.60871 17.8226 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -255.89 19.5266 3.72977 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.89 19.5266 3.72977 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -108.716 19.5266 3.72977 0.14575 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 -140.577 19.5266 3.72977 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -133.716 19.5266 3.72977 0.154 protocols.relax.FastRelax: {0} CMD: min -221.759 19.4491 4.7184 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.759 19.4491 4.7184 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.896 19.4491 4.7184 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 -184.197 19.4491 4.7184 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.963 19.4491 4.7184 0.31955 protocols.relax.FastRelax: {0} CMD: min -205.882 19.643 4.5127 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.882 19.643 4.5127 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.241 19.643 4.5127 0.55 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 -168.673 19.643 4.5127 0.55 protocols.relax.FastRelax: {0} CMD: min -205.598 19.6041 5.06488 0.55 protocols.relax.FastRelax: {0} MRP: 0 -205.598 -205.598 19.6041 5.06488 protocols.relax.FastRelax: {0} CMD: accept_to_best -205.598 19.6041 5.06488 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -205.598 19.6041 5.06488 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.598 19.6041 5.06488 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -262.162 19.6041 5.06488 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2357 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -272.994 19.6041 5.06488 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.622 19.6041 5.06488 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.819 19.4215 5.70682 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.819 19.4215 5.70682 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.922 19.4215 5.70682 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2510 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -201.324 19.4215 5.70682 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.447 19.4215 5.70682 0.154 protocols.relax.FastRelax: {0} CMD: min -255.074 19.5922 5.63023 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.074 19.5922 5.63023 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.823 19.5922 5.63023 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2430 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -215.859 19.5922 5.63023 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.692 19.5922 5.63023 0.31955 protocols.relax.FastRelax: {0} CMD: min -223 19.6541 5.48717 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223 19.6541 5.48717 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.072 19.6541 5.48717 0.55 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 -183.576 19.6541 5.48717 0.55 protocols.relax.FastRelax: {0} CMD: min -210.165 19.6262 5.87107 0.55 protocols.relax.FastRelax: {0} MRP: 1 -210.165 -210.165 19.6262 5.87107 protocols.relax.FastRelax: {0} CMD: accept_to_best -210.165 19.6262 5.87107 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -210.165 19.6262 5.87107 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.165 19.6262 5.87107 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.977 19.6262 5.87107 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2608 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -279.614 19.6262 5.87107 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.529 19.6262 5.87107 0.02805 protocols.relax.FastRelax: {0} CMD: min -331.593 19.4194 5.85916 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -331.593 19.4194 5.85916 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.074 19.4194 5.85916 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2661 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -213.464 19.4194 5.85916 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.04 19.4194 5.85916 0.154 protocols.relax.FastRelax: {0} CMD: min -264.237 19.5473 5.94463 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.237 19.5473 5.94463 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.653 19.5473 5.94463 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2468 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.745 19.5473 5.94463 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.567 19.5473 5.94463 0.31955 protocols.relax.FastRelax: {0} CMD: min -230.722 19.6343 5.88081 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.722 19.6343 5.88081 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.367 19.6343 5.88081 0.55 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 -190.434 19.6343 5.88081 0.55 protocols.relax.FastRelax: {0} CMD: min -217.641 19.6108 5.49959 0.55 protocols.relax.FastRelax: {0} MRP: 2 -217.641 -217.641 19.6108 5.49959 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.641 19.6108 5.49959 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.641 19.6108 5.49959 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.641 19.6108 5.49959 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.68 19.6108 5.49959 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2683 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -288.861 19.6108 5.49959 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.199 19.6108 5.49959 0.02805 protocols.relax.FastRelax: {0} CMD: min -337.24 19.0605 5.76559 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -337.24 19.0605 5.76559 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.74 19.0605 5.76559 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2561 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.155 19.0605 5.76559 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.806 19.0605 5.76559 0.154 protocols.relax.FastRelax: {0} CMD: min -273.802 19.352 5.5088 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.802 19.352 5.5088 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.123 19.352 5.5088 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2448 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -233.363 19.352 5.5088 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.151 19.352 5.5088 0.31955 protocols.relax.FastRelax: {0} CMD: min -240.854 19.3536 5.62464 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.854 19.3536 5.62464 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.93 19.3536 5.62464 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 -199.314 19.3536 5.62464 0.55 protocols.relax.FastRelax: {0} CMD: min -226.516 19.2688 5.7923 0.55 protocols.relax.FastRelax: {0} MRP: 3 -226.516 -226.516 19.2688 5.7923 protocols.relax.FastRelax: {0} CMD: accept_to_best -226.516 19.2688 5.7923 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -226.516 19.2688 5.7923 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.516 19.2688 5.7923 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.287 19.2688 5.7923 0.022 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 -292.936 19.2688 5.7923 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -290.839 19.2688 5.7923 0.02805 protocols.relax.FastRelax: {0} CMD: min -354.299 18.794 6.22546 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -354.299 18.794 6.22546 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.411 18.794 6.22546 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2560 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -222.963 18.794 6.22546 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.552 18.794 6.22546 0.154 protocols.relax.FastRelax: {0} CMD: min -289.343 18.9736 6.16387 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.343 18.9736 6.16387 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.302 18.9736 6.16387 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2449 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -245.275 18.9736 6.16387 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.814 18.9736 6.16387 0.31955 protocols.relax.FastRelax: {0} CMD: min -252.009 19.0598 6.10467 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.009 19.0598 6.10467 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.326 19.0598 6.10467 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2405 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.637 19.0598 6.10467 0.55 protocols.relax.FastRelax: {0} CMD: min -231.389 19.2123 5.86542 0.55 protocols.relax.FastRelax: {0} MRP: 4 -231.389 -231.389 19.2123 5.86542 protocols.relax.FastRelax: {0} CMD: accept_to_best -231.389 19.2123 5.86542 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -231.389 19.2123 5.86542 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_23.pdb protocols.relax.FastRelax: {0} CMD: repeat 77493.1 15.1411 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 77493.1 15.1411 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6707.43 15.1411 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2409 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -87.7666 15.1411 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -44.8871 15.1411 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -284.14 12.9035 4.89474 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.14 12.9035 4.89474 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -122.837 12.9035 4.89474 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2356 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -149.573 12.9035 4.89474 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -141.585 12.9035 4.89474 0.154 protocols.relax.FastRelax: {0} CMD: min -214.832 12.5228 5.98936 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.832 12.5228 5.98936 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.891 12.5228 5.98936 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2313 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -178.48 12.5228 5.98936 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.997 12.5228 5.98936 0.31955 protocols.relax.FastRelax: {0} CMD: min -196.233 12.6377 5.63582 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.233 12.6377 5.63582 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.664 12.6377 5.63582 0.55 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 -154.503 12.6377 5.63582 0.55 protocols.relax.FastRelax: {0} CMD: min -220.835 12.5915 6.16861 0.55 protocols.relax.FastRelax: {0} MRP: 0 -220.835 -220.835 12.5915 6.16861 protocols.relax.FastRelax: {0} CMD: accept_to_best -220.835 12.5915 6.16861 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -220.835 12.5915 6.16861 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.835 12.5915 6.16861 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.005 12.5915 6.16861 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2553 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -294.317 12.5915 6.16861 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -290.663 12.5915 6.16861 0.02805 protocols.relax.FastRelax: {0} CMD: min -330.941 12.8641 6.13673 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -330.941 12.8641 6.13673 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.851 12.8641 6.13673 0.14575 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 -244.498 12.8641 6.13673 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.257 12.8641 6.13673 0.154 protocols.relax.FastRelax: {0} CMD: min -278.695 12.7013 6.29989 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.695 12.7013 6.29989 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.667 12.7013 6.29989 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2479 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -239.624 12.7013 6.29989 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.542 12.7013 6.29989 0.31955 protocols.relax.FastRelax: {0} CMD: min -246.607 12.6135 6.40947 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.607 12.6135 6.40947 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.701 12.6135 6.40947 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2348 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -207.782 12.6135 6.40947 0.55 protocols.relax.FastRelax: {0} CMD: min -230.879 12.8349 6.46485 0.55 protocols.relax.FastRelax: {0} MRP: 1 -230.879 -230.879 12.8349 6.46485 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.879 12.8349 6.46485 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.879 12.8349 6.46485 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.879 12.8349 6.46485 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.418 12.8349 6.46485 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2547 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.833 12.8349 6.46485 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.836 12.8349 6.46485 0.02805 protocols.relax.FastRelax: {0} CMD: min -337.728 12.7925 6.92415 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -337.728 12.7925 6.92415 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.285 12.7925 6.92415 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2589 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -259.555 12.7925 6.92415 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.052 12.7925 6.92415 0.154 protocols.relax.FastRelax: {0} CMD: min -285.834 12.6928 6.84596 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -285.834 12.6928 6.84596 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.162 12.6928 6.84596 0.30745 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 -250.151 12.6928 6.84596 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.286 12.6928 6.84596 0.31955 protocols.relax.FastRelax: {0} CMD: min -257.669 12.8286 6.62877 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.669 12.8286 6.62877 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.03 12.8286 6.62877 0.55 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 -221.138 12.8286 6.62877 0.55 protocols.relax.FastRelax: {0} CMD: min -239.142 13.136 6.36822 0.55 protocols.relax.FastRelax: {0} MRP: 2 -239.142 -239.142 13.136 6.36822 protocols.relax.FastRelax: {0} CMD: accept_to_best -239.142 13.136 6.36822 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -239.142 13.136 6.36822 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.142 13.136 6.36822 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.761 13.136 6.36822 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2576 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -304.875 13.136 6.36822 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.912 13.136 6.36822 0.02805 protocols.relax.FastRelax: {0} CMD: min -345.902 13.0781 6.5274 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -345.902 13.0781 6.5274 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.841 13.0781 6.5274 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 -256.233 13.0781 6.5274 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.838 13.0781 6.5274 0.154 protocols.relax.FastRelax: {0} CMD: min -290.605 13.0416 6.33096 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.605 13.0416 6.33096 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.975 13.0416 6.33096 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2473 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -255.338 13.0416 6.33096 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.456 13.0416 6.33096 0.31955 protocols.relax.FastRelax: {0} CMD: min -262.051 13.1328 6.28374 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.051 13.1328 6.28374 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.6 13.1328 6.28374 0.55 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 -226.713 13.1328 6.28374 0.55 protocols.relax.FastRelax: {0} CMD: min -239.45 13.2429 6.23285 0.55 protocols.relax.FastRelax: {0} MRP: 3 -239.45 -239.45 13.2429 6.23285 protocols.relax.FastRelax: {0} CMD: accept_to_best -239.45 13.2429 6.23285 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -239.45 13.2429 6.23285 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.45 13.2429 6.23285 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.28 13.2429 6.23285 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2562 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -305.538 13.2429 6.23285 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.113 13.2429 6.23285 0.02805 protocols.relax.FastRelax: {0} CMD: min -342.691 13.1036 6.25923 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -342.691 13.1036 6.25923 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.772 13.1036 6.25923 0.14575 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 -251.839 13.1036 6.25923 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.453 13.1036 6.25923 0.154 protocols.relax.FastRelax: {0} CMD: min -290.857 13.2008 6.25558 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.857 13.2008 6.25558 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.447 13.2008 6.25558 0.30745 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 -254.708 13.2008 6.25558 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.789 13.2008 6.25558 0.31955 protocols.relax.FastRelax: {0} CMD: min -261.113 13.2469 6.23725 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.113 13.2469 6.23725 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.763 13.2469 6.23725 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2422 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.587 13.2469 6.23725 0.55 protocols.relax.FastRelax: {0} CMD: min -239.552 13.3445 6.27443 0.55 protocols.relax.FastRelax: {0} MRP: 4 -239.552 -239.552 13.3445 6.27443 protocols.relax.FastRelax: {0} CMD: accept_to_best -239.552 13.3445 6.27443 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -239.552 13.3445 6.27443 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_22.pdb protocols.relax.FastRelax: {0} CMD: repeat 70252.4 16.4903 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 70252.4 16.4903 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7799.96 16.4903 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3197 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 174.345 16.4903 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 208.525 16.4903 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -258.24 16.7773 4.53765 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.24 16.7773 4.53765 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -76.2421 16.7773 4.53765 0.14575 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 -95.8438 16.7773 4.53765 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -84.7477 16.7773 4.53765 0.154 protocols.relax.FastRelax: {0} CMD: min -185.784 16.8195 4.20675 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.784 16.8195 4.20675 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -128.059 16.8195 4.20675 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2516 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -132.092 16.8195 4.20675 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -127.584 16.8195 4.20675 0.31955 protocols.relax.FastRelax: {0} CMD: min -157.037 17.0626 4.27444 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -157.037 17.0626 4.27444 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -106.669 17.0626 4.27444 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2399 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -106.394 17.0626 4.27444 0.55 core.optimization.LineMinimizer: {0} [ ERROR ] Inaccurate G! step= 4.76837e-07 Deriv= -0.333806 Finite Diff= 0.0287643 protocols.relax.FastRelax: {0} CMD: min -167.849 16.6375 4.98094 0.55 protocols.relax.FastRelax: {0} MRP: 0 -167.849 -167.849 16.6375 4.98094 protocols.relax.FastRelax: {0} CMD: accept_to_best -167.849 16.6375 4.98094 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -167.849 16.6375 4.98094 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -167.849 16.6375 4.98094 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.81 16.6375 4.98094 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2779 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -254.085 16.6375 4.98094 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.639 16.6375 4.98094 0.02805 protocols.relax.FastRelax: {0} CMD: min -293.169 16.5049 4.79675 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -293.169 16.5049 4.79675 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.022 16.5049 4.79675 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2619 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -200.911 16.5049 4.79675 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.123 16.5049 4.79675 0.154 protocols.relax.FastRelax: {0} CMD: min -244.68 16.6219 4.74119 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.68 16.6219 4.74119 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.683 16.6219 4.74119 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2576 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -202.127 16.6219 4.74119 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.802 16.6219 4.74119 0.31955 protocols.relax.FastRelax: {0} CMD: min -208.53 16.4978 4.71013 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.53 16.4978 4.71013 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.298 16.4978 4.71013 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2458 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -163.616 16.4978 4.71013 0.55 protocols.relax.FastRelax: {0} CMD: min -188.739 16.6433 4.61922 0.55 protocols.relax.FastRelax: {0} MRP: 1 -188.739 -188.739 16.6433 4.61922 protocols.relax.FastRelax: {0} CMD: accept_to_best -188.739 16.6433 4.61922 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -188.739 16.6433 4.61922 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -188.739 16.6433 4.61922 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.534 16.6433 4.61922 0.022 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 -271.09 16.6433 4.61922 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.317 16.6433 4.61922 0.02805 protocols.relax.FastRelax: {0} CMD: min -308.774 16.295 4.97359 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.774 16.295 4.97359 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.638 16.295 4.97359 0.14575 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 -220.753 16.295 4.97359 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.461 16.295 4.97359 0.154 protocols.relax.FastRelax: {0} CMD: min -253.836 16.4727 4.84766 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.836 16.4727 4.84766 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.343 16.4727 4.84766 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 -213.377 16.4727 4.84766 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.107 16.4727 4.84766 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.678 16.4921 4.73465 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.678 16.4921 4.73465 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -176.684 16.4921 4.73465 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2428 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -176.784 16.4921 4.73465 0.55 protocols.relax.FastRelax: {0} CMD: min -194.707 16.6004 4.60075 0.55 protocols.relax.FastRelax: {0} MRP: 2 -194.707 -194.707 16.6004 4.60075 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.707 16.6004 4.60075 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.707 16.6004 4.60075 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.707 16.6004 4.60075 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.217 16.6004 4.60075 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2697 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -273.772 16.6004 4.60075 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.264 16.6004 4.60075 0.02805 protocols.relax.FastRelax: {0} CMD: min -306.152 16.4815 4.95731 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -306.152 16.4815 4.95731 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.553 16.4815 4.95731 0.14575 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 -208.067 16.4815 4.95731 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.245 16.4815 4.95731 0.154 protocols.relax.FastRelax: {0} CMD: min -250.867 16.3914 4.68501 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.867 16.3914 4.68501 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.643 16.3914 4.68501 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2483 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.043 16.3914 4.68501 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.849 16.3914 4.68501 0.31955 protocols.relax.FastRelax: {0} CMD: min -218.441 16.4055 4.62323 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.441 16.4055 4.62323 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.255 16.4055 4.62323 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 -174.944 16.4055 4.62323 0.55 protocols.relax.FastRelax: {0} CMD: min -194.103 16.4876 4.75133 0.55 protocols.relax.FastRelax: {0} MRP: 3 -194.103 -194.707 16.6004 4.60075 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.103 16.4876 4.75133 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.103 16.4876 4.75133 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.103 16.4876 4.75133 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.941 16.4876 4.75133 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 -273.307 16.4876 4.75133 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.373 16.4876 4.75133 0.02805 protocols.relax.FastRelax: {0} CMD: min -309.879 15.9972 4.981 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -309.879 15.9972 4.981 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.155 15.9972 4.981 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2869 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 15.9972 4.981 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.799 15.9972 4.981 0.154 protocols.relax.FastRelax: {0} CMD: min -255.52 16.238 4.78087 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.52 16.238 4.78087 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.943 16.238 4.78087 0.30745 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 -215.802 16.238 4.78087 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.617 16.238 4.78087 0.31955 protocols.relax.FastRelax: {0} CMD: min -221.992 16.25 4.83535 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.992 16.25 4.83535 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.384 16.25 4.83535 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 -180.016 16.25 4.83535 0.55 protocols.relax.FastRelax: {0} CMD: min -194.52 16.4689 4.78017 0.55 protocols.relax.FastRelax: {0} MRP: 4 -194.52 -194.707 16.6004 4.60075 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.52 16.4689 4.78017 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.52 16.4689 4.78017 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_37.pdb protocols.relax.FastRelax: {0} CMD: repeat 71876.7 14.2537 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71876.7 14.2537 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7365.59 14.2537 0 0.022 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 111.929 14.2537 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 135.363 14.2537 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -277.639 13.9405 2.59747 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.639 13.9405 2.59747 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -143.902 13.9405 2.59747 0.14575 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 -172.796 13.9405 2.59747 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.889 13.9405 2.59747 0.154 protocols.relax.FastRelax: {0} CMD: min -222.819 13.955 3.05031 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.819 13.955 3.05031 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.587 13.955 3.05031 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 -181.322 13.955 3.05031 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.081 13.955 3.05031 0.31955 protocols.relax.FastRelax: {0} CMD: min -189.099 14.1057 3.02019 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189.099 14.1057 3.02019 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -145.597 14.1057 3.02019 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2577 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -145.611 14.1057 3.02019 0.55 protocols.relax.FastRelax: {0} CMD: min -193.21 13.6151 2.79788 0.55 protocols.relax.FastRelax: {0} MRP: 0 -193.21 -193.21 13.6151 2.79788 protocols.relax.FastRelax: {0} CMD: accept_to_best -193.21 13.6151 2.79788 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -193.21 13.6151 2.79788 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.21 13.6151 2.79788 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.364 13.6151 2.79788 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2849 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -274.891 13.6151 2.79788 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.904 13.6151 2.79788 0.02805 protocols.relax.FastRelax: {0} CMD: min -317.882 12.9211 3.18747 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.882 12.9211 3.18747 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.725 12.9211 3.18747 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 -207.499 12.9211 3.18747 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.431 12.9211 3.18747 0.154 protocols.relax.FastRelax: {0} CMD: min -261.343 13.152 2.9925 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.343 13.152 2.9925 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.497 13.152 2.9925 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2627 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -218.918 13.152 2.9925 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.434 13.152 2.9925 0.31955 protocols.relax.FastRelax: {0} CMD: min -229.619 13.264 2.95607 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.619 13.264 2.95607 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.769 13.264 2.95607 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 -187.296 13.264 2.95607 0.55 protocols.relax.FastRelax: {0} CMD: min -211.979 13.214 3.29991 0.55 protocols.relax.FastRelax: {0} MRP: 1 -211.979 -211.979 13.214 3.29991 protocols.relax.FastRelax: {0} CMD: accept_to_best -211.979 13.214 3.29991 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -211.979 13.214 3.29991 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.979 13.214 3.29991 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.781 13.214 3.29991 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 -283.283 13.214 3.29991 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -282.027 13.214 3.29991 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.379 12.6591 3.74311 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.379 12.6591 3.74311 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.23 12.6591 3.74311 0.14575 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 -234.966 12.6591 3.74311 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.049 12.6591 3.74311 0.154 protocols.relax.FastRelax: {0} CMD: min -271.937 12.7865 3.54533 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.937 12.7865 3.54533 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.328 12.7865 3.54533 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2488 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -229.934 12.7865 3.54533 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.63 12.7865 3.54533 0.31955 protocols.relax.FastRelax: {0} CMD: min -238.427 12.983 3.37598 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.427 12.983 3.37598 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.044 12.983 3.37598 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2469 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -198.172 12.983 3.37598 0.55 protocols.relax.FastRelax: {0} CMD: min -212.928 13.1889 3.28378 0.55 protocols.relax.FastRelax: {0} MRP: 2 -212.928 -212.928 13.1889 3.28378 protocols.relax.FastRelax: {0} CMD: accept_to_best -212.928 13.1889 3.28378 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -212.928 13.1889 3.28378 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.928 13.1889 3.28378 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.52 13.1889 3.28378 0.022 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 -285.101 13.1889 3.28378 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.838 13.1889 3.28378 0.02805 protocols.relax.FastRelax: {0} CMD: min -331.041 12.6156 3.96453 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -331.041 12.6156 3.96453 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.511 12.6156 3.96453 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2776 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -226.931 12.6156 3.96453 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.24 12.6156 3.96453 0.154 protocols.relax.FastRelax: {0} CMD: min -273.864 12.8278 3.49093 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.864 12.8278 3.49093 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.358 12.8278 3.49093 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2482 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.696 12.8278 3.49093 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.442 12.8278 3.49093 0.31955 protocols.relax.FastRelax: {0} CMD: min -235.911 12.7958 3.54494 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.911 12.7958 3.54494 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.071 12.7958 3.54494 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2463 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -192.49 12.7958 3.54494 0.55 protocols.relax.FastRelax: {0} CMD: min -212.928 13.173 3.29875 0.55 protocols.relax.FastRelax: {0} MRP: 3 -212.928 -212.928 13.173 3.29875 protocols.relax.FastRelax: {0} CMD: accept_to_best -212.928 13.173 3.29875 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -212.928 13.173 3.29875 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.928 13.173 3.29875 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.733 13.173 3.29875 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 -285.314 13.173 3.29875 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.063 13.173 3.29875 0.02805 protocols.relax.FastRelax: {0} CMD: min -330.414 12.5727 3.95022 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -330.414 12.5727 3.95022 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.755 12.5727 3.95022 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2767 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -219.559 12.5727 3.95022 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.327 12.5727 3.95022 0.154 protocols.relax.FastRelax: {0} CMD: min -271.669 13.0038 3.328 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.669 13.0038 3.328 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.303 13.0038 3.328 0.30745 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 -229.338 13.0038 3.328 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.958 13.0038 3.328 0.31955 protocols.relax.FastRelax: {0} CMD: min -240.359 13.1239 3.2694 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.359 13.1239 3.2694 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.129 13.1239 3.2694 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 -200.161 13.1239 3.2694 0.55 protocols.relax.FastRelax: {0} CMD: min -213.02 13.0995 3.33368 0.55 protocols.relax.FastRelax: {0} MRP: 4 -213.02 -213.02 13.0995 3.33368 protocols.relax.FastRelax: {0} CMD: accept_to_best -213.02 13.0995 3.33368 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -213.02 13.0995 3.33368 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_34.pdb protocols.relax.FastRelax: {0} CMD: repeat 71554.1 14.9587 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71554.1 14.9587 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6668.71 14.9587 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2833 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 140.496 14.9587 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 172.118 14.9587 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -144.052 12.2781 5.19559 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -144.052 12.2781 5.19559 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 343.462 12.2781 5.19559 0.14575 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 -128.486 12.2781 5.19559 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -121.309 12.2781 5.19559 0.154 protocols.relax.FastRelax: {0} CMD: min -213.201 12.2105 5.17306 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.201 12.2105 5.17306 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.96 12.2105 5.17306 0.30745 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 -170.186 12.2105 5.17306 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.635 12.2105 5.17306 0.31955 protocols.relax.FastRelax: {0} CMD: min -185.679 12.2414 5.17676 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -185.679 12.2414 5.17676 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -142.771 12.2414 5.17676 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2325 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -142.22 12.2414 5.17676 0.55 protocols.relax.FastRelax: {0} CMD: min -180.831 12.2305 5.44466 0.55 protocols.relax.FastRelax: {0} MRP: 0 -180.831 -180.831 12.2305 5.44466 protocols.relax.FastRelax: {0} CMD: accept_to_best -180.831 12.2305 5.44466 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -180.831 12.2305 5.44466 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.831 12.2305 5.44466 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.571 12.2305 5.44466 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 -260.462 12.2305 5.44466 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.972 12.2305 5.44466 0.02805 protocols.relax.FastRelax: {0} CMD: min -318.203 12.1788 5.58315 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -318.203 12.1788 5.58315 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.091 12.1788 5.58315 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 -201.732 12.1788 5.58315 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.08 12.1788 5.58315 0.154 protocols.relax.FastRelax: {0} CMD: min -247.845 12.2646 5.41198 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.845 12.2646 5.41198 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.092 12.2646 5.41198 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 -203.115 12.2646 5.41198 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.612 12.2646 5.41198 0.31955 protocols.relax.FastRelax: {0} CMD: min -206.935 12.2317 5.53443 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.935 12.2317 5.53443 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -158.937 12.2317 5.53443 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2522 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -158.783 12.2317 5.53443 0.55 protocols.relax.FastRelax: {0} CMD: min -207.134 12.3861 5.46302 0.55 protocols.relax.FastRelax: {0} MRP: 1 -207.134 -207.134 12.3861 5.46302 protocols.relax.FastRelax: {0} CMD: accept_to_best -207.134 12.3861 5.46302 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -207.134 12.3861 5.46302 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.134 12.3861 5.46302 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -272.22 12.3861 5.46302 0.022 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 -284.374 12.3861 5.46302 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.229 12.3861 5.46302 0.02805 protocols.relax.FastRelax: {0} CMD: min -335.834 12.2498 5.53999 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -335.834 12.2498 5.53999 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.939 12.2498 5.53999 0.14575 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 -226.108 12.2498 5.53999 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.978 12.2498 5.53999 0.154 protocols.relax.FastRelax: {0} CMD: min -281.006 12.329 5.47305 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -281.006 12.329 5.47305 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.035 12.329 5.47305 0.30745 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 -236.602 12.329 5.47305 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.128 12.329 5.47305 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.58 12.3174 5.53895 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.58 12.3174 5.53895 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.001 12.3174 5.53895 0.55 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 -197.662 12.3174 5.53895 0.55 protocols.relax.FastRelax: {0} CMD: min -216.432 12.444 5.48002 0.55 protocols.relax.FastRelax: {0} MRP: 2 -216.432 -216.432 12.444 5.48002 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.432 12.444 5.48002 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.432 12.444 5.48002 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.432 12.444 5.48002 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.302 12.444 5.48002 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2857 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -290.715 12.444 5.48002 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.148 12.444 5.48002 0.02805 protocols.relax.FastRelax: {0} CMD: min -329.284 12.4315 5.42089 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.284 12.4315 5.42089 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.512 12.4315 5.42089 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 -208.912 12.4315 5.42089 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.314 12.4315 5.42089 0.154 protocols.relax.FastRelax: {0} CMD: min -277.734 12.4054 5.50871 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.734 12.4054 5.50871 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.689 12.4054 5.50871 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2683 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -238.077 12.4054 5.50871 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.92 12.4054 5.50871 0.31955 protocols.relax.FastRelax: {0} CMD: min -242.905 12.4002 5.54587 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.905 12.4002 5.54587 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.065 12.4002 5.54587 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2553 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -198.689 12.4002 5.54587 0.55 protocols.relax.FastRelax: {0} CMD: min -219.668 12.5071 5.34339 0.55 protocols.relax.FastRelax: {0} MRP: 3 -219.668 -219.668 12.5071 5.34339 protocols.relax.FastRelax: {0} CMD: accept_to_best -219.668 12.5071 5.34339 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -219.668 12.5071 5.34339 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.668 12.5071 5.34339 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.925 12.5071 5.34339 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3126 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 12.5071 5.34339 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -292.414 12.5071 5.34339 0.02805 protocols.relax.FastRelax: {0} CMD: min -339.98 12.4101 5.4414 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -339.98 12.4101 5.4414 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.743 12.4101 5.4414 0.14575 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 -230.765 12.4101 5.4414 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.469 12.4101 5.4414 0.154 protocols.relax.FastRelax: {0} CMD: min -283.312 12.4141 5.47075 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -283.312 12.4141 5.47075 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.724 12.4141 5.47075 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 -238.591 12.4141 5.47075 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.092 12.4141 5.47075 0.31955 protocols.relax.FastRelax: {0} CMD: min -243.133 12.4033 5.54644 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.133 12.4033 5.54644 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.224 12.4033 5.54644 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2584 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -196.498 12.4033 5.54644 0.55 protocols.relax.FastRelax: {0} CMD: min -227.329 12.5147 5.38534 0.55 protocols.relax.FastRelax: {0} MRP: 4 -227.329 -227.329 12.5147 5.38534 protocols.relax.FastRelax: {0} CMD: accept_to_best -227.329 12.5147 5.38534 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -227.329 12.5147 5.38534 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_45.pdb protocols.relax.FastRelax: {0} CMD: repeat 75735.2 15.7869 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75735.2 15.7869 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7625.09 15.7869 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3181 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -179.809 15.7869 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.352 15.7869 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -196.637 16.1173 2.60378 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.637 16.1173 2.60378 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 422.581 16.1173 2.60378 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3088 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -2.02449 16.1173 2.60378 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 16.5757 16.1173 2.60378 0.154 protocols.relax.FastRelax: {0} CMD: min -261.783 15.8994 2.77216 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.783 15.8994 2.77216 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.284 15.8994 2.77216 0.30745 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 -210.387 15.8994 2.77216 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.411 15.8994 2.77216 0.31955 protocols.relax.FastRelax: {0} CMD: min -222.361 15.893 2.62856 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.361 15.893 2.62856 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.36 15.893 2.62856 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 -174.018 15.893 2.62856 0.55 protocols.relax.FastRelax: {0} CMD: min -222.867 15.842 2.78978 0.55 protocols.relax.FastRelax: {0} MRP: 0 -222.867 -222.867 15.842 2.78978 protocols.relax.FastRelax: {0} CMD: accept_to_best -222.867 15.842 2.78978 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -222.867 15.842 2.78978 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.867 15.842 2.78978 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.199 15.842 2.78978 0.022 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 -309.033 15.842 2.78978 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.161 15.842 2.78978 0.02805 protocols.relax.FastRelax: {0} CMD: min -383.965 15.9497 2.98523 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -383.965 15.9497 2.98523 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.619 15.9497 2.98523 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3247 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -231.68 15.9497 2.98523 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.83 15.9497 2.98523 0.154 protocols.relax.FastRelax: {0} CMD: min -303.25 16.0072 3.03031 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.25 16.0072 3.03031 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.997 16.0072 3.03031 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 -248.771 16.0072 3.03031 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.556 16.0072 3.03031 0.31955 protocols.relax.FastRelax: {0} CMD: min -262.232 15.999 3.02275 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.232 15.999 3.02275 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.188 15.999 3.02275 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2776 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -213.299 15.999 3.02275 0.55 protocols.relax.FastRelax: {0} CMD: min -244.163 16.0376 3.29744 0.55 protocols.relax.FastRelax: {0} MRP: 1 -244.163 -244.163 16.0376 3.29744 protocols.relax.FastRelax: {0} CMD: accept_to_best -244.163 16.0376 3.29744 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -244.163 16.0376 3.29744 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.163 16.0376 3.29744 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.272 16.0376 3.29744 0.022 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 -328.436 16.0376 3.29744 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -325.726 16.0376 3.29744 0.02805 protocols.relax.FastRelax: {0} CMD: min -392.656 16.0566 3.4993 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -392.656 16.0566 3.4993 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.265 16.0566 3.4993 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3517 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -248.404 16.0566 3.4993 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.773 16.0566 3.4993 0.154 protocols.relax.FastRelax: {0} CMD: min -308.684 16.1329 3.44948 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -308.684 16.1329 3.44948 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.26 16.1329 3.44948 0.30745 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 -258.015 16.1329 3.44948 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.911 16.1329 3.44948 0.31955 protocols.relax.FastRelax: {0} CMD: min -270.629 16.1214 3.38364 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.629 16.1214 3.38364 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.064 16.1214 3.38364 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2786 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.297 16.1214 3.38364 0.55 protocols.relax.FastRelax: {0} CMD: min -243.275 15.985 3.48663 0.55 protocols.relax.FastRelax: {0} MRP: 2 -243.275 -244.163 16.0376 3.29744 protocols.relax.FastRelax: {0} CMD: accept_to_best -243.275 15.985 3.48663 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -243.275 15.985 3.48663 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.275 15.985 3.48663 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -315.287 15.985 3.48663 0.022 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 -326.289 15.985 3.48663 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -323.895 15.985 3.48663 0.02805 protocols.relax.FastRelax: {0} CMD: min -388.264 16.0195 3.65915 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -388.264 16.0195 3.65915 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.602 16.0195 3.65915 0.14575 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 -250.415 16.0195 3.65915 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.627 16.0195 3.65915 0.154 protocols.relax.FastRelax: {0} CMD: min -310.67 16.067 3.67201 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -310.67 16.067 3.67201 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.689 16.067 3.67201 0.30745 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 -260.532 16.067 3.67201 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.549 16.067 3.67201 0.31955 protocols.relax.FastRelax: {0} CMD: min -274.52 16.0978 3.65588 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.52 16.0978 3.65588 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.011 16.0978 3.65588 0.55 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 -229.609 16.0978 3.65588 0.55 protocols.relax.FastRelax: {0} CMD: min -247.19 16.1224 3.5803 0.55 protocols.relax.FastRelax: {0} MRP: 3 -247.19 -247.19 16.1224 3.5803 protocols.relax.FastRelax: {0} CMD: accept_to_best -247.19 16.1224 3.5803 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -247.19 16.1224 3.5803 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -247.19 16.1224 3.5803 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -319.044 16.1224 3.5803 0.022 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 -332.694 16.1224 3.5803 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -329.543 16.1224 3.5803 0.02805 protocols.relax.FastRelax: {0} CMD: min -405.123 16.1568 3.77724 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -405.123 16.1568 3.77724 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.177 16.1568 3.77724 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 -240.537 16.1568 3.77724 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.507 16.1568 3.77724 0.154 protocols.relax.FastRelax: {0} CMD: min -318.983 16.2001 3.69344 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -318.983 16.2001 3.69344 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.342 16.2001 3.69344 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 -265.701 16.2001 3.69344 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.264 16.2001 3.69344 0.31955 protocols.relax.FastRelax: {0} CMD: min -280.875 16.2239 3.66667 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -280.875 16.2239 3.66667 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.896 16.2239 3.66667 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 -230.935 16.2239 3.66667 0.55 protocols.relax.FastRelax: {0} CMD: min -251.015 16.1517 3.62796 0.55 protocols.relax.FastRelax: {0} MRP: 4 -251.015 -251.015 16.1517 3.62796 protocols.relax.FastRelax: {0} CMD: accept_to_best -251.015 16.1517 3.62796 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -251.015 16.1517 3.62796 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_12.pdb protocols.relax.FastRelax: {0} CMD: repeat 69904.2 17.6352 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 69904.2 17.6352 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7025.06 17.6352 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2904 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -89.6489 17.6352 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -59.639 17.6352 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -229.92 17.3113 2.35941 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.92 17.3113 2.35941 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 1.56691 17.3113 2.35941 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2828 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -23.9116 17.3113 2.35941 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -9.14441 17.3113 2.35941 0.154 protocols.relax.FastRelax: {0} CMD: min -200.375 17.3873 2.54943 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.375 17.3873 2.54943 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.222 17.3873 2.54943 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2623 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -153.429 17.3873 2.54943 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -149.719 17.3873 2.54943 0.31955 protocols.relax.FastRelax: {0} CMD: min -182.177 17.3245 2.90234 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -182.177 17.3245 2.90234 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.11 17.3245 2.90234 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2372 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -140.71 17.3245 2.90234 0.55 protocols.relax.FastRelax: {0} CMD: min -177.306 17.3652 3.3477 0.55 protocols.relax.FastRelax: {0} MRP: 0 -177.306 -177.306 17.3652 3.3477 protocols.relax.FastRelax: {0} CMD: accept_to_best -177.306 17.3652 3.3477 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -177.306 17.3652 3.3477 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.306 17.3652 3.3477 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.934 17.3652 3.3477 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2946 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -262.278 17.3652 3.3477 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.772 17.3652 3.3477 0.02805 protocols.relax.FastRelax: {0} CMD: min -311.949 17.2226 3.42948 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -311.949 17.2226 3.42948 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.75 17.2226 3.42948 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 -188.18 17.2226 3.42948 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.212 17.2226 3.42948 0.154 protocols.relax.FastRelax: {0} CMD: min -254.141 17.3018 3.40295 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.141 17.3018 3.40295 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.966 17.3018 3.40295 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2619 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -209.076 17.3018 3.40295 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.52 17.3018 3.40295 0.31955 protocols.relax.FastRelax: {0} CMD: min -215.227 17.3694 3.40792 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.227 17.3694 3.40792 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.892 17.3694 3.40792 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2313 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -169.022 17.3694 3.40792 0.55 protocols.relax.FastRelax: {0} CMD: min -189.79 17.3789 3.33618 0.55 protocols.relax.FastRelax: {0} MRP: 1 -189.79 -189.79 17.3789 3.33618 protocols.relax.FastRelax: {0} CMD: accept_to_best -189.79 17.3789 3.33618 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -189.79 17.3789 3.33618 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189.79 17.3789 3.33618 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.829 17.3789 3.33618 0.022 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 -269.28 17.3789 3.33618 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.452 17.3789 3.33618 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.266 17.1918 3.39719 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.266 17.1918 3.39719 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.876 17.1918 3.39719 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2857 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -183.882 17.1918 3.39719 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.191 17.1918 3.39719 0.154 protocols.relax.FastRelax: {0} CMD: min -254.993 17.3207 3.40282 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.993 17.3207 3.40282 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.251 17.3207 3.40282 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2557 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.464 17.3207 3.40282 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.814 17.3207 3.40282 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.844 17.3868 3.39752 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.844 17.3868 3.39752 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.577 17.3868 3.39752 0.55 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 -173.628 17.3868 3.39752 0.55 protocols.relax.FastRelax: {0} CMD: min -194.486 17.4053 3.70403 0.55 protocols.relax.FastRelax: {0} MRP: 2 -194.486 -194.486 17.4053 3.70403 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.486 17.4053 3.70403 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.486 17.4053 3.70403 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.486 17.4053 3.70403 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.939 17.4053 3.70403 0.022 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 -277.958 17.4053 3.70403 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.284 17.4053 3.70403 0.02805 protocols.relax.FastRelax: {0} CMD: min -326.932 17.2305 3.60428 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -326.932 17.2305 3.60428 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.065 17.2305 3.60428 0.14575 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 -213.059 17.2305 3.60428 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.934 17.2305 3.60428 0.154 protocols.relax.FastRelax: {0} CMD: min -261.744 17.3034 3.61641 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.744 17.3034 3.61641 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.318 17.3034 3.61641 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2544 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.522 17.3034 3.61641 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.811 17.3034 3.61641 0.31955 protocols.relax.FastRelax: {0} CMD: min -223.373 17.3711 3.66642 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.373 17.3711 3.66642 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.947 17.3711 3.66642 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2267 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -177.947 17.3711 3.66642 0.55 protocols.relax.FastRelax: {0} CMD: min -194.482 17.4089 3.74675 0.55 protocols.relax.FastRelax: {0} MRP: 3 -194.482 -194.486 17.4053 3.70403 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.482 17.4089 3.74675 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.482 17.4089 3.74675 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.482 17.4089 3.74675 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.347 17.4089 3.74675 0.022 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 -276.76 17.4089 3.74675 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.194 17.4089 3.74675 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.986 17.1894 3.64778 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.986 17.1894 3.64778 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.219 17.1894 3.64778 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2912 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -209.796 17.1894 3.64778 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.559 17.1894 3.64778 0.154 protocols.relax.FastRelax: {0} CMD: min -259.17 17.3012 3.63743 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.17 17.3012 3.63743 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.039 17.3012 3.63743 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 -212.748 17.3012 3.63743 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.038 17.3012 3.63743 0.31955 protocols.relax.FastRelax: {0} CMD: min -223.559 17.3579 3.68102 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.559 17.3579 3.68102 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.677 17.3579 3.68102 0.55 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 -178.708 17.3579 3.68102 0.55 protocols.relax.FastRelax: {0} CMD: min -194.486 17.41 3.7498 0.55 protocols.relax.FastRelax: {0} MRP: 4 -194.486 -194.486 17.41 3.7498 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.486 17.41 3.7498 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.486 17.41 3.7498 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_16.pdb protocols.relax.FastRelax: {0} CMD: repeat 71688.3 15.1177 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71688.3 15.1177 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6983.26 15.1177 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2275 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 74.3817 15.1177 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 99.7462 15.1177 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -235.568 16.449 6.98723 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.568 16.449 6.98723 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -43.3533 16.449 6.98723 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2144 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -96.8451 16.449 6.98723 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -87.7174 16.449 6.98723 0.154 protocols.relax.FastRelax: {0} CMD: min -212.887 16.4897 6.77264 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.887 16.4897 6.77264 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.069 16.4897 6.77264 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2072 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -175.45 16.4897 6.77264 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.288 16.4897 6.77264 0.31955 protocols.relax.FastRelax: {0} CMD: min -183.114 16.6021 6.33504 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -183.114 16.6021 6.33504 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.383 16.6021 6.33504 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2013 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -137.667 16.6021 6.33504 0.55 protocols.relax.FastRelax: {0} CMD: min -190.633 16.7017 6.92757 0.55 protocols.relax.FastRelax: {0} MRP: 0 -190.633 -190.633 16.7017 6.92757 protocols.relax.FastRelax: {0} CMD: accept_to_best -190.633 16.7017 6.92757 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -190.633 16.7017 6.92757 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.633 16.7017 6.92757 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.32 16.7017 6.92757 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 -272.295 16.7017 6.92757 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.732 16.7017 6.92757 0.02805 protocols.relax.FastRelax: {0} CMD: min -307.439 17.3689 8.67753 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.439 17.3689 8.67753 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -101.969 17.3689 8.67753 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2931 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -187.523 17.3689 8.67753 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.861 17.3689 8.67753 0.154 protocols.relax.FastRelax: {0} CMD: min -259.355 17.4065 8.75876 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.355 17.4065 8.75876 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.56 17.4065 8.75876 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 -215.872 17.4065 8.75876 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.441 17.4065 8.75876 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.844 17.4579 8.75625 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.844 17.4579 8.75625 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.51 17.4579 8.75625 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 -173.349 17.4579 8.75625 0.55 protocols.relax.FastRelax: {0} CMD: min -210.842 17.5118 8.80012 0.55 protocols.relax.FastRelax: {0} MRP: 1 -210.842 -210.842 17.5118 8.80012 protocols.relax.FastRelax: {0} CMD: accept_to_best -210.842 17.5118 8.80012 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -210.842 17.5118 8.80012 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.842 17.5118 8.80012 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.054 17.5118 8.80012 0.022 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 -298.819 17.5118 8.80012 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.176 17.5118 8.80012 0.02805 protocols.relax.FastRelax: {0} CMD: min -335.723 17.3075 8.84863 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -335.723 17.3075 8.84863 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.629 17.3075 8.84863 0.14575 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 -243.949 17.3075 8.84863 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.402 17.3075 8.84863 0.154 protocols.relax.FastRelax: {0} CMD: min -275.696 17.3277 8.85441 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.696 17.3277 8.85441 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.499 17.3277 8.85441 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 -231.359 17.3277 8.85441 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.848 17.3277 8.85441 0.31955 protocols.relax.FastRelax: {0} CMD: min -242.852 17.4034 8.82422 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.852 17.4034 8.82422 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.385 17.4034 8.82422 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2670 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -199.997 17.4034 8.82422 0.55 protocols.relax.FastRelax: {0} CMD: min -219.67 17.5226 8.83919 0.55 protocols.relax.FastRelax: {0} MRP: 2 -219.67 -219.67 17.5226 8.83919 protocols.relax.FastRelax: {0} CMD: accept_to_best -219.67 17.5226 8.83919 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -219.67 17.5226 8.83919 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.67 17.5226 8.83919 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.438 17.5226 8.83919 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3061 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -305.672 17.5226 8.83919 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.993 17.5226 8.83919 0.02805 protocols.relax.FastRelax: {0} CMD: min -353.369 17.3559 8.89995 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -353.369 17.3559 8.89995 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.746 17.3559 8.89995 0.14575 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 -231.481 17.3559 8.89995 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.338 17.3559 8.89995 0.154 protocols.relax.FastRelax: {0} CMD: min -284.402 17.4165 8.86842 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.402 17.4165 8.86842 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.7 17.4165 8.86842 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2715 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -240.69 17.4165 8.86842 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.269 17.4165 8.86842 0.31955 protocols.relax.FastRelax: {0} CMD: min -246.052 17.4524 8.83914 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.052 17.4524 8.83914 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.039 17.4524 8.83914 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2610 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -199.27 17.4524 8.83914 0.55 protocols.relax.FastRelax: {0} CMD: min -224.908 17.4673 8.81043 0.55 protocols.relax.FastRelax: {0} MRP: 3 -224.908 -224.908 17.4673 8.81043 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.908 17.4673 8.81043 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.908 17.4673 8.81043 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.908 17.4673 8.81043 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.18 17.4673 8.81043 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3062 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -309.26 17.4673 8.81043 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.409 17.4673 8.81043 0.02805 protocols.relax.FastRelax: {0} CMD: min -351.087 17.1435 8.81287 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -351.087 17.1435 8.81287 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.895 17.1435 8.81287 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2912 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.745 17.1435 8.81287 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.331 17.1435 8.81287 0.154 protocols.relax.FastRelax: {0} CMD: min -287.837 17.3332 8.85458 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -287.837 17.3332 8.85458 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.596 17.3332 8.85458 0.30745 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 -242.951 17.3332 8.85458 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.284 17.3332 8.85458 0.31955 protocols.relax.FastRelax: {0} CMD: min -255.759 17.3782 8.83483 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.759 17.3782 8.83483 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.041 17.3782 8.83483 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 -210.033 17.3782 8.83483 0.55 protocols.relax.FastRelax: {0} CMD: min -233.859 17.4051 8.83466 0.55 protocols.relax.FastRelax: {0} MRP: 4 -233.859 -233.859 17.4051 8.83466 protocols.relax.FastRelax: {0} CMD: accept_to_best -233.859 17.4051 8.83466 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -233.859 17.4051 8.83466 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_20.pdb protocols.relax.FastRelax: {0} CMD: repeat 67375.4 12.2526 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 67375.4 12.2526 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7174.78 12.2526 0 0.022 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 -33.1995 12.2526 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6.03454 12.2526 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -254.196 14.6703 4.66754 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.196 14.6703 4.66754 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -116.672 14.6703 4.66754 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 -138.631 14.6703 4.66754 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -131.469 14.6703 4.66754 0.154 protocols.relax.FastRelax: {0} CMD: min -222.118 14.5061 4.42646 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.118 14.5061 4.42646 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.926 14.5061 4.42646 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 -180.532 14.5061 4.42646 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.095 14.5061 4.42646 0.31955 protocols.relax.FastRelax: {0} CMD: min -191.329 14.5354 4.4856 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -191.329 14.5354 4.4856 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -149.054 14.5354 4.4856 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2319 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -149.428 14.5354 4.4856 0.55 protocols.relax.FastRelax: {0} CMD: min -190.114 14.8141 5.06949 0.55 protocols.relax.FastRelax: {0} MRP: 0 -190.114 -190.114 14.8141 5.06949 protocols.relax.FastRelax: {0} CMD: accept_to_best -190.114 14.8141 5.06949 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -190.114 14.8141 5.06949 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.114 14.8141 5.06949 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.813 14.8141 5.06949 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2786 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -268.38 14.8141 5.06949 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.768 14.8141 5.06949 0.02805 protocols.relax.FastRelax: {0} CMD: min -315.605 14.8772 5.36871 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -315.605 14.8772 5.36871 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.828 14.8772 5.36871 0.14575 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 -219.544 14.8772 5.36871 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.689 14.8772 5.36871 0.154 protocols.relax.FastRelax: {0} CMD: min -253.268 14.8755 5.34945 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.268 14.8755 5.34945 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.571 14.8755 5.34945 0.30745 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 -208.492 14.8755 5.34945 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.015 14.8755 5.34945 0.31955 protocols.relax.FastRelax: {0} CMD: min -218.773 14.8017 5.26429 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -218.773 14.8017 5.26429 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.115 14.8017 5.26429 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2473 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -177.27 14.8017 5.26429 0.55 protocols.relax.FastRelax: {0} CMD: min -200.045 14.6953 5.27357 0.55 protocols.relax.FastRelax: {0} MRP: 1 -200.045 -200.045 14.6953 5.27357 protocols.relax.FastRelax: {0} CMD: accept_to_best -200.045 14.6953 5.27357 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -200.045 14.6953 5.27357 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.045 14.6953 5.27357 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.16 14.6953 5.27357 0.022 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 -274.765 14.6953 5.27357 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.598 14.6953 5.27357 0.02805 protocols.relax.FastRelax: {0} CMD: min -319.162 14.8652 5.54 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -319.162 14.8652 5.54 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.07 14.8652 5.54 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2947 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -213.002 14.8652 5.54 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.73 14.8652 5.54 0.154 protocols.relax.FastRelax: {0} CMD: min -260.704 14.8314 5.41055 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.704 14.8314 5.41055 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.804 14.8314 5.41055 0.30745 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 -218.631 14.8314 5.41055 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.389 14.8314 5.41055 0.31955 protocols.relax.FastRelax: {0} CMD: min -225.648 14.7976 5.42645 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.648 14.7976 5.42645 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.77 14.7976 5.42645 0.55 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 -182.919 14.7976 5.42645 0.55 protocols.relax.FastRelax: {0} CMD: min -201.586 14.7779 5.33013 0.55 protocols.relax.FastRelax: {0} MRP: 2 -201.586 -201.586 14.7779 5.33013 protocols.relax.FastRelax: {0} CMD: accept_to_best -201.586 14.7779 5.33013 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -201.586 14.7779 5.33013 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.586 14.7779 5.33013 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.441 14.7779 5.33013 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2870 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -282.145 14.7779 5.33013 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.053 14.7779 5.33013 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.808 14.9972 5.63942 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.808 14.9972 5.63942 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.272 14.9972 5.63942 0.14575 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 -224.989 14.9972 5.63942 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.742 14.9972 5.63942 0.154 protocols.relax.FastRelax: {0} CMD: min -262.826 15.0437 5.64171 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.826 15.0437 5.64171 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.429 15.0437 5.64171 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2754 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 15.0437 5.64171 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.116 15.0437 5.64171 0.31955 protocols.relax.FastRelax: {0} CMD: min -225.372 15.0573 5.69678 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.372 15.0573 5.69678 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.839 15.0573 5.69678 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 -181.191 15.0573 5.69678 0.55 protocols.relax.FastRelax: {0} CMD: min -201.56 15.0692 5.65044 0.55 protocols.relax.FastRelax: {0} MRP: 3 -201.56 -201.586 14.7779 5.33013 protocols.relax.FastRelax: {0} CMD: accept_to_best -201.56 15.0692 5.65044 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -201.56 15.0692 5.65044 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.56 15.0692 5.65044 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.083 15.0692 5.65044 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2917 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -284.775 15.0692 5.65044 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.701 15.0692 5.65044 0.02805 protocols.relax.FastRelax: {0} CMD: min -335.247 14.9346 5.70535 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -335.247 14.9346 5.70535 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.134 14.9346 5.70535 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 -227.442 14.9346 5.70535 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.838 14.9346 5.70535 0.154 protocols.relax.FastRelax: {0} CMD: min -270.304 14.9867 5.65952 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -270.304 14.9867 5.65952 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.112 14.9867 5.65952 0.30745 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 -224.415 14.9867 5.65952 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.831 14.9867 5.65952 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.649 14.9645 5.62519 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.649 14.9645 5.62519 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.172 14.9645 5.62519 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 -178.438 14.9645 5.62519 0.55 protocols.relax.FastRelax: {0} CMD: min -206.977 14.9483 5.60721 0.55 protocols.relax.FastRelax: {0} MRP: 4 -206.977 -206.977 14.9483 5.60721 protocols.relax.FastRelax: {0} CMD: accept_to_best -206.977 14.9483 5.60721 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -206.977 14.9483 5.60721 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_5.pdb protocols.relax.FastRelax: {0} CMD: repeat 72821.8 17.8027 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 72821.8 17.8027 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6741.94 17.8027 0 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 -28.2696 17.8027 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 24.2683 17.8027 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -294.256 17.1717 2.74825 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.256 17.1717 2.74825 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -118.016 17.1717 2.74825 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 -143.225 17.1717 2.74825 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -134.084 17.1717 2.74825 0.154 protocols.relax.FastRelax: {0} CMD: min -244.123 16.9575 4.00747 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.123 16.9575 4.00747 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.186 16.9575 4.00747 0.30745 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 -194.54 16.9575 4.00747 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.649 16.9575 4.00747 0.31955 protocols.relax.FastRelax: {0} CMD: min -202.341 16.9641 4.02532 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.341 16.9641 4.02532 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -151.808 16.9641 4.02532 0.55 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 -152.385 16.9641 4.02532 0.55 protocols.relax.FastRelax: {0} CMD: min -202.786 16.9842 5.88711 0.55 protocols.relax.FastRelax: {0} MRP: 0 -202.786 -202.786 16.9842 5.88711 protocols.relax.FastRelax: {0} CMD: accept_to_best -202.786 16.9842 5.88711 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -202.786 16.9842 5.88711 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.786 16.9842 5.88711 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -266.476 16.9842 5.88711 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3003 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -288.931 16.9842 5.88711 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.262 16.9842 5.88711 0.02805 protocols.relax.FastRelax: {0} CMD: min -360.317 16.952 5.9637 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -360.317 16.952 5.9637 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.067 16.952 5.9637 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3096 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -218.825 16.952 5.9637 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.328 16.952 5.9637 0.154 protocols.relax.FastRelax: {0} CMD: min -284.848 17.0012 6.05841 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.848 17.0012 6.05841 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.858 17.0012 6.05841 0.30745 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 -232.691 17.0012 6.05841 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.601 17.0012 6.05841 0.31955 protocols.relax.FastRelax: {0} CMD: min -244.553 17.0432 6.18589 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.553 17.0432 6.18589 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.351 17.0432 6.18589 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 -193.615 17.0432 6.18589 0.55 protocols.relax.FastRelax: {0} CMD: min -226.836 17.0987 6.35612 0.55 protocols.relax.FastRelax: {0} MRP: 1 -226.836 -226.836 17.0987 6.35612 protocols.relax.FastRelax: {0} CMD: accept_to_best -226.836 17.0987 6.35612 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -226.836 17.0987 6.35612 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.836 17.0987 6.35612 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.629 17.0987 6.35612 0.022 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 -306.692 17.0987 6.35612 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -304.174 17.0987 6.35612 0.02805 protocols.relax.FastRelax: {0} CMD: min -354.837 16.9966 6.21062 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -354.837 16.9966 6.21062 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.395 16.9966 6.21062 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 -248.633 16.9966 6.21062 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.958 16.9966 6.21062 0.154 protocols.relax.FastRelax: {0} CMD: min -290.568 17.0574 6.24521 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.568 17.0574 6.24521 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.803 17.0574 6.24521 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2907 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -245.276 17.0574 6.24521 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.645 17.0574 6.24521 0.31955 protocols.relax.FastRelax: {0} CMD: min -254.483 17.0974 6.34274 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -254.483 17.0974 6.34274 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.83 17.0974 6.34274 0.55 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 -209.149 17.0974 6.34274 0.55 protocols.relax.FastRelax: {0} CMD: min -228.735 17.1374 6.33303 0.55 protocols.relax.FastRelax: {0} MRP: 2 -228.735 -228.735 17.1374 6.33303 protocols.relax.FastRelax: {0} CMD: accept_to_best -228.735 17.1374 6.33303 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -228.735 17.1374 6.33303 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.735 17.1374 6.33303 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.321 17.1374 6.33303 0.022 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 -307.865 17.1374 6.33303 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -304.992 17.1374 6.33303 0.02805 protocols.relax.FastRelax: {0} CMD: min -373.191 16.9706 6.04943 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -373.191 16.9706 6.04943 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.687 16.9706 6.04943 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3160 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -225.299 16.9706 6.04943 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.808 16.9706 6.04943 0.154 protocols.relax.FastRelax: {0} CMD: min -301.285 17.0357 6.18269 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.285 17.0357 6.18269 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.381 17.0357 6.18269 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2833 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -252.763 17.0357 6.18269 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.945 17.0357 6.18269 0.31955 protocols.relax.FastRelax: {0} CMD: min -260.932 17.0686 6.27928 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.932 17.0686 6.27928 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.374 17.0686 6.27928 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2751 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.684 17.0686 6.27928 0.55 protocols.relax.FastRelax: {0} CMD: min -230.642 17.1035 6.32146 0.55 protocols.relax.FastRelax: {0} MRP: 3 -230.642 -230.642 17.1035 6.32146 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.642 17.1035 6.32146 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.642 17.1035 6.32146 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.642 17.1035 6.32146 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.504 17.1035 6.32146 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 -308.609 17.1035 6.32146 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -306.382 17.1035 6.32146 0.02805 protocols.relax.FastRelax: {0} CMD: min -374.699 17.0024 6.20581 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -374.699 17.0024 6.20581 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.479 17.0024 6.20581 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3423 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -234.261 17.0024 6.20581 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.234 17.0024 6.20581 0.154 protocols.relax.FastRelax: {0} CMD: min -302.771 17.0632 6.6087 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.771 17.0632 6.6087 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.974 17.0632 6.6087 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2940 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -253.378 17.0632 6.6087 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.496 17.0632 6.6087 0.31955 protocols.relax.FastRelax: {0} CMD: min -260.622 17.0963 6.72003 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.622 17.0963 6.72003 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.517 17.0963 6.72003 0.55 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 -211.809 17.0963 6.72003 0.55 protocols.relax.FastRelax: {0} CMD: min -231.491 17.1418 7.08443 0.55 protocols.relax.FastRelax: {0} MRP: 4 -231.491 -231.491 17.1418 7.08443 protocols.relax.FastRelax: {0} CMD: accept_to_best -231.491 17.1418 7.08443 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -231.491 17.1418 7.08443 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_47.pdb protocols.relax.FastRelax: {0} CMD: repeat 73552.1 15.1452 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73552.1 15.1452 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7208.47 15.1452 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2965 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -34.349 15.1452 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 17.388 15.1452 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -282.061 15.2405 3.03796 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -282.061 15.2405 3.03796 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -88.5396 15.2405 3.03796 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3098 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -116.833 15.2405 3.03796 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -107.18 15.2405 3.03796 0.154 protocols.relax.FastRelax: {0} CMD: min -229.843 15.3041 3.45941 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.843 15.3041 3.45941 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.812 15.3041 3.45941 0.30745 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 -192.685 15.3041 3.45941 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.234 15.3041 3.45941 0.31955 protocols.relax.FastRelax: {0} CMD: min -207.564 15.3486 3.75621 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.564 15.3486 3.75621 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.992 15.3486 3.75621 0.55 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 -166.462 15.3486 3.75621 0.55 protocols.relax.FastRelax: {0} CMD: min -217.282 15.3202 4.23867 0.55 protocols.relax.FastRelax: {0} MRP: 0 -217.282 -217.282 15.3202 4.23867 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.282 15.3202 4.23867 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.282 15.3202 4.23867 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.282 15.3202 4.23867 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.198 15.3202 4.23867 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3253 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.441 15.3202 4.23867 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.977 15.3202 4.23867 0.02805 protocols.relax.FastRelax: {0} CMD: min -365.45 15.1482 3.90421 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -365.45 15.1482 3.90421 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.144 15.1482 3.90421 0.14575 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 -230.227 15.1482 3.90421 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.049 15.1482 3.90421 0.154 protocols.relax.FastRelax: {0} CMD: min -289.065 15.2636 3.9404 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.065 15.2636 3.9404 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.945 15.2636 3.9404 0.30745 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 -242.027 15.2636 3.9404 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.132 15.2636 3.9404 0.31955 protocols.relax.FastRelax: {0} CMD: min -261.861 15.2646 3.98055 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.861 15.2646 3.98055 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.585 15.2646 3.98055 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2819 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -221.805 15.2646 3.98055 0.55 protocols.relax.FastRelax: {0} CMD: min -239.658 15.3674 4.29915 0.55 protocols.relax.FastRelax: {0} MRP: 1 -239.658 -239.658 15.3674 4.29915 protocols.relax.FastRelax: {0} CMD: accept_to_best -239.658 15.3674 4.29915 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -239.658 15.3674 4.29915 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.658 15.3674 4.29915 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.117 15.3674 4.29915 0.022 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 -313.561 15.3674 4.29915 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -310.752 15.3674 4.29915 0.02805 protocols.relax.FastRelax: {0} CMD: min -373.936 15.0655 3.75611 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -373.936 15.0655 3.75611 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.061 15.0655 3.75611 0.14575 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 -229.638 15.0655 3.75611 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.022 15.0655 3.75611 0.154 protocols.relax.FastRelax: {0} CMD: min -303.941 15.1927 3.92288 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.941 15.1927 3.92288 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.761 15.1927 3.92288 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2715 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -258.932 15.1927 3.92288 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.385 15.1927 3.92288 0.31955 protocols.relax.FastRelax: {0} CMD: min -267.364 15.2743 4.11487 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.364 15.2743 4.11487 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.32 15.2743 4.11487 0.55 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 -222.379 15.2743 4.11487 0.55 protocols.relax.FastRelax: {0} CMD: min -244.48 15.2486 4.25912 0.55 protocols.relax.FastRelax: {0} MRP: 2 -244.48 -244.48 15.2486 4.25912 protocols.relax.FastRelax: {0} CMD: accept_to_best -244.48 15.2486 4.25912 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -244.48 15.2486 4.25912 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.48 15.2486 4.25912 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308.135 15.2486 4.25912 0.022 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 -316.638 15.2486 4.25912 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -315.225 15.2486 4.25912 0.02805 protocols.relax.FastRelax: {0} CMD: min -363.897 15.0531 3.65231 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -363.897 15.0531 3.65231 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.069 15.0531 3.65231 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2901 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -247.071 15.0531 3.65231 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.547 15.0531 3.65231 0.154 protocols.relax.FastRelax: {0} CMD: min -304.812 15.1685 3.94796 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.812 15.1685 3.94796 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -261.088 15.1685 3.94796 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2678 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -262.493 15.1685 3.94796 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.14 15.1685 3.94796 0.31955 protocols.relax.FastRelax: {0} CMD: min -269.293 15.1761 4.01272 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -269.293 15.1761 4.01272 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.968 15.1761 4.01272 0.55 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 -225.185 15.1761 4.01272 0.55 protocols.relax.FastRelax: {0} CMD: min -243.704 15.1836 4.16381 0.55 protocols.relax.FastRelax: {0} MRP: 3 -243.704 -244.48 15.2486 4.25912 protocols.relax.FastRelax: {0} CMD: accept_to_best -243.704 15.1836 4.16381 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -243.704 15.1836 4.16381 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.704 15.1836 4.16381 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.718 15.1836 4.16381 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2759 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -318.986 15.1836 4.16381 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -317.232 15.1836 4.16381 0.02805 protocols.relax.FastRelax: {0} CMD: min -366.988 14.9734 3.46719 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -366.988 14.9734 3.46719 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.817 14.9734 3.46719 0.14575 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 -252.39 14.9734 3.46719 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.943 14.9734 3.46719 0.154 protocols.relax.FastRelax: {0} CMD: min -304.841 15.0947 3.87169 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.841 15.0947 3.87169 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.357 15.0947 3.87169 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2675 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -260.282 15.0947 3.87169 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.826 15.0947 3.87169 0.31955 protocols.relax.FastRelax: {0} CMD: min -268.337 15.1752 3.96046 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.337 15.1752 3.96046 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.515 15.1752 3.96046 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2610 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -227.414 15.1752 3.96046 0.55 protocols.relax.FastRelax: {0} CMD: min -244.721 15.1721 4.27431 0.55 protocols.relax.FastRelax: {0} MRP: 4 -244.721 -244.721 15.1721 4.27431 protocols.relax.FastRelax: {0} CMD: accept_to_best -244.721 15.1721 4.27431 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -244.721 15.1721 4.27431 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_44.pdb protocols.relax.FastRelax: {0} CMD: repeat 71290.9 10.5642 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71290.9 10.5642 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7692.9 10.5642 0 0.022 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 225.36 10.5642 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 275.898 10.5642 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -225.037 12.2074 12.7457 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.037 12.2074 12.7457 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -133.851 12.2074 12.7457 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2074 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -153.025 12.2074 12.7457 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -148.763 12.2074 12.7457 0.154 protocols.relax.FastRelax: {0} CMD: min -181.531 13.3818 14.517 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -181.531 13.3818 14.517 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -146.415 13.3818 14.517 0.30745 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 -147.136 13.3818 14.517 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.405 13.3818 14.517 0.31955 protocols.relax.FastRelax: {0} CMD: min -174.46 13.8632 15.0802 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -174.46 13.8632 15.0802 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -144.207 13.8632 15.0802 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1953 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -144.408 13.8632 15.0802 0.55 protocols.relax.FastRelax: {0} CMD: min -169.819 12.8691 12.8279 0.55 protocols.relax.FastRelax: {0} MRP: 0 -169.819 -169.819 12.8691 12.8279 protocols.relax.FastRelax: {0} CMD: accept_to_best -169.819 12.8691 12.8279 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -169.819 12.8691 12.8279 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -169.819 12.8691 12.8279 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.433 12.8691 12.8279 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2145 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -236.114 12.8691 12.8279 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.636 12.8691 12.8279 0.02805 protocols.relax.FastRelax: {0} CMD: min -257.856 12.1279 12.7697 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.856 12.1279 12.7697 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.499 12.1279 12.7697 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2058 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -204.419 12.1279 12.7697 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.151 12.1279 12.7697 0.154 protocols.relax.FastRelax: {0} CMD: min -223.834 12.3743 12.9918 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.834 12.3743 12.9918 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.33 12.3743 12.9918 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2010 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -195.658 12.3743 12.9918 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.454 12.3743 12.9918 0.31955 protocols.relax.FastRelax: {0} CMD: min -200.124 12.9487 13.5659 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.124 12.9487 13.5659 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.449 12.9487 13.5659 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1998 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -166.416 12.9487 13.5659 0.55 protocols.relax.FastRelax: {0} CMD: min -187.666 13.928 14.2971 0.55 protocols.relax.FastRelax: {0} MRP: 1 -187.666 -187.666 13.928 14.2971 protocols.relax.FastRelax: {0} CMD: accept_to_best -187.666 13.928 14.2971 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -187.666 13.928 14.2971 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -187.666 13.928 14.2971 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.181 13.928 14.2971 0.022 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 -249.331 13.928 14.2971 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -247.318 13.928 14.2971 0.02805 protocols.relax.FastRelax: {0} CMD: min -274.001 12.9742 12.4839 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.001 12.9742 12.4839 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.226 12.9742 12.4839 0.14575 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 -212.642 12.9742 12.4839 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.86 12.9742 12.4839 0.154 protocols.relax.FastRelax: {0} CMD: min -238.353 13.1568 12.8812 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.353 13.1568 12.8812 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.361 13.1568 12.8812 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1998 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.437 13.1568 12.8812 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.074 13.1568 12.8812 0.31955 protocols.relax.FastRelax: {0} CMD: min -208.097 13.198 13.0224 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.097 13.198 13.0224 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -167.373 13.198 13.0224 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 1982 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -168.343 13.198 13.0224 0.55 protocols.relax.FastRelax: {0} CMD: min -193.646 13.3747 13.5906 0.55 protocols.relax.FastRelax: {0} MRP: 2 -193.646 -193.646 13.3747 13.5906 protocols.relax.FastRelax: {0} CMD: accept_to_best -193.646 13.3747 13.5906 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -193.646 13.3747 13.5906 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.646 13.3747 13.5906 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.249 13.3747 13.5906 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2134 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -255.006 13.3747 13.5906 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.349 13.3747 13.5906 0.02805 protocols.relax.FastRelax: {0} CMD: min -274.732 12.5115 12.2087 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.732 12.5115 12.2087 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.385 12.5115 12.2087 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2146 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -210.432 12.5115 12.2087 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.099 12.5115 12.2087 0.154 protocols.relax.FastRelax: {0} CMD: min -242.752 12.9011 12.8354 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.752 12.9011 12.8354 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.698 12.9011 12.8354 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2043 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.046 12.9011 12.8354 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.572 12.9011 12.8354 0.31955 protocols.relax.FastRelax: {0} CMD: min -211.464 12.8803 12.977 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -211.464 12.8803 12.977 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.405 12.8803 12.977 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2022 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -169.998 12.8803 12.977 0.55 protocols.relax.FastRelax: {0} CMD: min -201.141 13.5988 14.6631 0.55 protocols.relax.FastRelax: {0} MRP: 3 -201.141 -201.141 13.5988 14.6631 protocols.relax.FastRelax: {0} CMD: accept_to_best -201.141 13.5988 14.6631 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -201.141 13.5988 14.6631 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.141 13.5988 14.6631 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.005 13.5988 14.6631 0.022 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 -261.591 13.5988 14.6631 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -259.902 13.5988 14.6631 0.02805 protocols.relax.FastRelax: {0} CMD: min -288.038 12.7797 13.4515 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.038 12.7797 13.4515 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.617 12.7797 13.4515 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2385 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -223.255 12.7797 13.4515 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.943 12.7797 13.4515 0.154 protocols.relax.FastRelax: {0} CMD: min -249.168 13.0691 14.0131 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.168 13.0691 14.0131 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.701 13.0691 14.0131 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 -217.125 13.0691 14.0131 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.578 13.0691 14.0131 0.31955 protocols.relax.FastRelax: {0} CMD: min -222.858 13.4896 14.5371 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.858 13.4896 14.5371 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.793 13.4896 14.5371 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2025 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -186.977 13.4896 14.5371 0.55 protocols.relax.FastRelax: {0} CMD: min -201.831 13.6437 14.6618 0.55 protocols.relax.FastRelax: {0} MRP: 4 -201.831 -201.831 13.6437 14.6618 protocols.relax.FastRelax: {0} CMD: accept_to_best -201.831 13.6437 14.6618 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -201.831 13.6437 14.6618 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_30.pdb protocols.relax.FastRelax: {0} CMD: repeat 74335.8 18.7045 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 74335.8 18.7045 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7339.68 18.7045 0 0.022 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 -39.3566 18.7045 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -5.43922 18.7045 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -245.088 17.3374 5.537 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -245.088 17.3374 5.537 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -121.592 17.3374 5.537 0.14575 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 -152.154 17.3374 5.537 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -145.621 17.3374 5.537 0.154 protocols.relax.FastRelax: {0} CMD: min -225.154 18.0009 4.11675 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -225.154 18.0009 4.11675 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.8 18.0009 4.11675 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 -190.996 18.0009 4.11675 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.069 18.0009 4.11675 0.31955 protocols.relax.FastRelax: {0} CMD: min -195.939 17.8133 4.59331 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -195.939 17.8133 4.59331 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.103 17.8133 4.59331 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2427 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -151.768 17.8133 4.59331 0.55 protocols.relax.FastRelax: {0} CMD: min -205.055 16.3461 8.46393 0.55 protocols.relax.FastRelax: {0} MRP: 0 -205.055 -205.055 16.3461 8.46393 protocols.relax.FastRelax: {0} CMD: accept_to_best -205.055 16.3461 8.46393 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -205.055 16.3461 8.46393 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.055 16.3461 8.46393 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.908 16.3461 8.46393 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2637 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -277.416 16.3461 8.46393 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.181 16.3461 8.46393 0.02805 protocols.relax.FastRelax: {0} CMD: min -334.73 16.4817 7.20721 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -334.73 16.4817 7.20721 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.374 16.4817 7.20721 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2916 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -219.16 16.4817 7.20721 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.901 16.4817 7.20721 0.154 protocols.relax.FastRelax: {0} CMD: min -266.056 16.4981 7.54346 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.056 16.4981 7.54346 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.936 16.4981 7.54346 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2661 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.126 16.4981 7.54346 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.545 16.4981 7.54346 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.803 16.3633 8.23102 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.803 16.3633 8.23102 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.727 16.3633 8.23102 0.55 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 -186.127 16.3633 8.23102 0.55 protocols.relax.FastRelax: {0} CMD: min -216.571 16.171 8.55533 0.55 protocols.relax.FastRelax: {0} MRP: 1 -216.571 -216.571 16.171 8.55533 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.571 16.171 8.55533 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.571 16.171 8.55533 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.571 16.171 8.55533 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.822 16.171 8.55533 0.022 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 -291.48 16.171 8.55533 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.973 16.171 8.55533 0.02805 protocols.relax.FastRelax: {0} CMD: min -339.436 15.849 8.79468 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -339.436 15.849 8.79468 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.97 15.849 8.79468 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 -230.642 15.849 8.79468 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.86 15.849 8.79468 0.154 protocols.relax.FastRelax: {0} CMD: min -275.863 15.8628 9.25888 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -275.863 15.8628 9.25888 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.534 15.8628 9.25888 0.30745 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 -233.027 15.8628 9.25888 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.593 15.8628 9.25888 0.31955 protocols.relax.FastRelax: {0} CMD: min -243.14 16.0501 9.0571 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.14 16.0501 9.0571 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.819 16.0501 9.0571 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 -199.64 16.0501 9.0571 0.55 protocols.relax.FastRelax: {0} CMD: min -224.321 16.0517 9.10733 0.55 protocols.relax.FastRelax: {0} MRP: 2 -224.321 -224.321 16.0517 9.10733 protocols.relax.FastRelax: {0} CMD: accept_to_best -224.321 16.0517 9.10733 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -224.321 16.0517 9.10733 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.321 16.0517 9.10733 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.185 16.0517 9.10733 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2568 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -297.661 16.0517 9.10733 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.472 16.0517 9.10733 0.02805 protocols.relax.FastRelax: {0} CMD: min -332.76 15.9407 8.65569 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -332.76 15.9407 8.65569 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.768 15.9407 8.65569 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 -249.951 15.9407 8.65569 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.658 15.9407 8.65569 0.154 protocols.relax.FastRelax: {0} CMD: min -285.449 15.8032 9.14444 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -285.449 15.8032 9.14444 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.598 15.8032 9.14444 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 -247.139 15.8032 9.14444 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -244.091 15.8032 9.14444 0.31955 protocols.relax.FastRelax: {0} CMD: min -253.187 15.8017 9.34887 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -253.187 15.8017 9.34887 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.27 15.8017 9.34887 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2458 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.289 15.8017 9.34887 0.55 protocols.relax.FastRelax: {0} CMD: min -230.313 15.4673 9.80393 0.55 protocols.relax.FastRelax: {0} MRP: 3 -230.313 -230.313 15.4673 9.80393 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.313 15.4673 9.80393 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.313 15.4673 9.80393 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.313 15.4673 9.80393 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -294.264 15.4673 9.80393 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2577 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.809 15.4673 9.80393 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.039 15.4673 9.80393 0.02805 protocols.relax.FastRelax: {0} CMD: min -338.419 15.2693 9.35672 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -338.419 15.2693 9.35672 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.781 15.2693 9.35672 0.14575 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 -251.57 15.2693 9.35672 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.703 15.2693 9.35672 0.154 protocols.relax.FastRelax: {0} CMD: min -291.088 15.1986 9.81909 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.088 15.1986 9.81909 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.436 15.1986 9.81909 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2571 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -246.527 15.1986 9.81909 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.945 15.1986 9.81909 0.31955 protocols.relax.FastRelax: {0} CMD: min -256.382 15.2834 9.88868 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.382 15.2834 9.88868 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -209.289 15.2834 9.88868 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 -210.646 15.2834 9.88868 0.55 protocols.relax.FastRelax: {0} CMD: min -239.517 15.1713 10.031 0.55 protocols.relax.FastRelax: {0} MRP: 4 -239.517 -239.517 15.1713 10.031 protocols.relax.FastRelax: {0} CMD: accept_to_best -239.517 15.1713 10.031 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -239.517 15.1713 10.031 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_0.pdb protocols.relax.FastRelax: {0} CMD: repeat 76053.2 16.7607 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 76053.2 16.7607 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7268.07 16.7607 0 0.022 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 -130.797 16.7607 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -105.811 16.7607 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -277.131 16.3177 1.46671 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.131 16.3177 1.46671 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -136.83 16.3177 1.46671 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2983 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -166.543 16.3177 1.46671 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.688 16.3177 1.46671 0.154 protocols.relax.FastRelax: {0} CMD: min -215.859 16.3169 1.62663 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.859 16.3169 1.62663 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.487 16.3169 1.62663 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2851 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -174.936 16.3169 1.62663 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.476 16.3169 1.62663 0.31955 protocols.relax.FastRelax: {0} CMD: min -180.213 16.2322 1.70398 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.213 16.2322 1.70398 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.668 16.2322 1.70398 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2550 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -128.257 16.2322 1.70398 0.55 protocols.relax.FastRelax: {0} CMD: min -217.032 16.5631 2.25486 0.55 protocols.relax.FastRelax: {0} MRP: 0 -217.032 -217.032 16.5631 2.25486 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.032 16.5631 2.25486 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.032 16.5631 2.25486 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.032 16.5631 2.25486 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.702 16.5631 2.25486 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3240 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -289.493 16.5631 2.25486 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.983 16.5631 2.25486 0.02805 protocols.relax.FastRelax: {0} CMD: min -334.96 16.6201 2.68556 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -334.96 16.6201 2.68556 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.577 16.6201 2.68556 0.14575 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 -243.195 16.6201 2.68556 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.372 16.6201 2.68556 0.154 protocols.relax.FastRelax: {0} CMD: min -278.422 16.6838 2.52315 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.422 16.6838 2.52315 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.3 16.6838 2.52315 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3033 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -236.91 16.6838 2.52315 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.567 16.6838 2.52315 0.31955 protocols.relax.FastRelax: {0} CMD: min -248.184 16.6859 2.40928 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.184 16.6859 2.40928 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.627 16.6859 2.40928 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 -208.791 16.6859 2.40928 0.55 protocols.relax.FastRelax: {0} CMD: min -230.089 16.6158 2.35698 0.55 protocols.relax.FastRelax: {0} MRP: 1 -230.089 -230.089 16.6158 2.35698 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.089 16.6158 2.35698 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.089 16.6158 2.35698 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.089 16.6158 2.35698 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -290.977 16.6158 2.35698 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3326 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -299.701 16.6158 2.35698 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.868 16.6158 2.35698 0.02805 protocols.relax.FastRelax: {0} CMD: min -343.186 16.5462 2.63622 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -343.186 16.5462 2.63622 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.944 16.5462 2.63622 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3455 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -246.809 16.5462 2.63622 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.667 16.5462 2.63622 0.154 protocols.relax.FastRelax: {0} CMD: min -291.423 16.563 2.51122 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -291.423 16.563 2.51122 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.42 16.563 2.51122 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 -253.811 16.563 2.51122 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.819 16.563 2.51122 0.31955 protocols.relax.FastRelax: {0} CMD: min -257.523 16.5736 2.49049 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.523 16.5736 2.49049 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.714 16.5736 2.49049 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 -214.065 16.5736 2.49049 0.55 protocols.relax.FastRelax: {0} CMD: min -236.875 16.5674 2.6427 0.55 protocols.relax.FastRelax: {0} MRP: 2 -236.875 -236.875 16.5674 2.6427 protocols.relax.FastRelax: {0} CMD: accept_to_best -236.875 16.5674 2.6427 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -236.875 16.5674 2.6427 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.875 16.5674 2.6427 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -298.445 16.5674 2.6427 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3369 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -305.948 16.5674 2.6427 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -303.68 16.5674 2.6427 0.02805 protocols.relax.FastRelax: {0} CMD: min -347.627 16.4347 2.86251 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -347.627 16.4347 2.86251 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.532 16.4347 2.86251 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3376 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -257.206 16.4347 2.86251 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.621 16.4347 2.86251 0.154 protocols.relax.FastRelax: {0} CMD: min -294.932 16.4374 2.74136 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.932 16.4374 2.74136 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.59 16.4374 2.74136 0.30745 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 -257.04 16.4374 2.74136 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.048 16.4374 2.74136 0.31955 protocols.relax.FastRelax: {0} CMD: min -262.543 16.4543 2.66755 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.543 16.4543 2.66755 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.126 16.4543 2.66755 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3039 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -222.276 16.4543 2.66755 0.55 protocols.relax.FastRelax: {0} CMD: min -240.933 16.5407 2.60824 0.55 protocols.relax.FastRelax: {0} MRP: 3 -240.933 -240.933 16.5407 2.60824 protocols.relax.FastRelax: {0} CMD: accept_to_best -240.933 16.5407 2.60824 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -240.933 16.5407 2.60824 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.933 16.5407 2.60824 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -302.607 16.5407 2.60824 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3450 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -309.755 16.5407 2.60824 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.93 16.5407 2.60824 0.02805 protocols.relax.FastRelax: {0} CMD: min -349.729 16.4285 2.78245 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -349.729 16.4285 2.78245 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.18 16.4285 2.78245 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3417 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -269.402 16.4285 2.78245 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -264.346 16.4285 2.78245 0.154 protocols.relax.FastRelax: {0} CMD: min -295.42 16.3963 2.80019 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.42 16.3963 2.80019 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.276 16.3963 2.80019 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3160 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -254.935 16.3963 2.80019 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.686 16.3963 2.80019 0.31955 protocols.relax.FastRelax: {0} CMD: min -267.858 16.4601 2.64405 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.858 16.4601 2.64405 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.937 16.4601 2.64405 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3017 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -230.046 16.4601 2.64405 0.55 protocols.relax.FastRelax: {0} CMD: min -244.058 16.5216 2.60522 0.55 protocols.relax.FastRelax: {0} MRP: 4 -244.058 -244.058 16.5216 2.60522 protocols.relax.FastRelax: {0} CMD: accept_to_best -244.058 16.5216 2.60522 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -244.058 16.5216 2.60522 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_18.pdb protocols.relax.FastRelax: {0} CMD: repeat 67288 12.8997 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 67288 12.8997 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6861.49 12.8997 0 0.022 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 -71.2781 12.8997 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -44.054 12.8997 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -251.699 13.4849 3.52802 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.699 13.4849 3.52802 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -112.641 13.4849 3.52802 0.14575 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 -160.461 13.4849 3.52802 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.932 13.4849 3.52802 0.154 protocols.relax.FastRelax: {0} CMD: min -230.382 13.5238 3.70934 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.382 13.5238 3.70934 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.694 13.5238 3.70934 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2776 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -193.443 13.5238 3.70934 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.468 13.5238 3.70934 0.31955 protocols.relax.FastRelax: {0} CMD: min -197.632 13.5653 3.67736 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -197.632 13.5653 3.67736 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -154.888 13.5653 3.67736 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 -155.296 13.5653 3.67736 0.55 protocols.relax.FastRelax: {0} CMD: min -202.449 13.8591 3.75707 0.55 protocols.relax.FastRelax: {0} MRP: 0 -202.449 -202.449 13.8591 3.75707 protocols.relax.FastRelax: {0} CMD: accept_to_best -202.449 13.8591 3.75707 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -202.449 13.8591 3.75707 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.449 13.8591 3.75707 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -260.928 13.8591 3.75707 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 -280.263 13.8591 3.75707 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.137 13.8591 3.75707 0.02805 protocols.relax.FastRelax: {0} CMD: min -322.067 13.7179 4.12522 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -322.067 13.7179 4.12522 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.382 13.7179 4.12522 0.14575 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 -212.928 13.7179 4.12522 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.313 13.7179 4.12522 0.154 protocols.relax.FastRelax: {0} CMD: min -271.239 13.8271 4.14535 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.239 13.8271 4.14535 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.499 13.8271 4.14535 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3007 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.002 13.8271 4.14535 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.03 13.8271 4.14535 0.31955 protocols.relax.FastRelax: {0} CMD: min -237.047 13.8652 4.08111 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -237.047 13.8652 4.08111 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.365 13.8652 4.08111 0.55 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 -195.001 13.8652 4.08111 0.55 protocols.relax.FastRelax: {0} CMD: min -216.683 13.8861 4.08664 0.55 protocols.relax.FastRelax: {0} MRP: 1 -216.683 -216.683 13.8861 4.08664 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.683 13.8861 4.08664 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.683 13.8861 4.08664 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.683 13.8861 4.08664 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.809 13.8861 4.08664 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3058 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -285.841 13.8861 4.08664 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.669 13.8861 4.08664 0.02805 protocols.relax.FastRelax: {0} CMD: min -333.999 13.7994 4.26061 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -333.999 13.7994 4.26061 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.715 13.7994 4.26061 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3073 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -229.059 13.7994 4.26061 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.638 13.7994 4.26061 0.154 protocols.relax.FastRelax: {0} CMD: min -271.793 13.8383 4.17212 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.793 13.8383 4.17212 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.524 13.8383 4.17212 0.30745 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 -229.391 13.8383 4.17212 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.083 13.8383 4.17212 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.645 13.8531 4.07876 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.645 13.8531 4.07876 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.082 13.8531 4.07876 0.55 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 -202.159 13.8531 4.07876 0.55 protocols.relax.FastRelax: {0} CMD: min -217.425 13.832 4.03458 0.55 protocols.relax.FastRelax: {0} MRP: 2 -217.425 -217.425 13.832 4.03458 protocols.relax.FastRelax: {0} CMD: accept_to_best -217.425 13.832 4.03458 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -217.425 13.832 4.03458 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.425 13.832 4.03458 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.191 13.832 4.03458 0.022 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 -288.804 13.832 4.03458 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.084 13.832 4.03458 0.02805 protocols.relax.FastRelax: {0} CMD: min -336.141 13.7933 4.3062 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -336.141 13.7933 4.3062 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.8 13.7933 4.3062 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 -233.051 13.7933 4.3062 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.582 13.7933 4.3062 0.154 protocols.relax.FastRelax: {0} CMD: min -278.385 13.8391 4.11548 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.385 13.8391 4.11548 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -239.092 13.8391 4.11548 0.30745 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 -240.715 13.8391 4.11548 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.613 13.8391 4.11548 0.31955 protocols.relax.FastRelax: {0} CMD: min -246.114 13.8568 4.07918 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -246.114 13.8568 4.07918 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.497 13.8568 4.07918 0.55 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 -203.627 13.8568 4.07918 0.55 protocols.relax.FastRelax: {0} CMD: min -222.373 13.847 4.02497 0.55 protocols.relax.FastRelax: {0} MRP: 3 -222.373 -222.373 13.847 4.02497 protocols.relax.FastRelax: {0} CMD: accept_to_best -222.373 13.847 4.02497 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -222.373 13.847 4.02497 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.373 13.847 4.02497 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.328 13.847 4.02497 0.022 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 -291.217 13.847 4.02497 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.466 13.847 4.02497 0.02805 protocols.relax.FastRelax: {0} CMD: min -334.203 13.7613 4.23698 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -334.203 13.7613 4.23698 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.243 13.7613 4.23698 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3160 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -232.486 13.7613 4.23698 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.173 13.7613 4.23698 0.154 protocols.relax.FastRelax: {0} CMD: min -276.466 13.8215 4.10253 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -276.466 13.8215 4.10253 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.676 13.8215 4.10253 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2936 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -238.493 13.8215 4.10253 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.458 13.8215 4.10253 0.31955 protocols.relax.FastRelax: {0} CMD: min -248.212 13.8254 4.04203 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.212 13.8254 4.04203 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.75 13.8254 4.04203 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2855 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.043 13.8254 4.04203 0.55 protocols.relax.FastRelax: {0} CMD: min -222.746 13.8013 3.98694 0.55 protocols.relax.FastRelax: {0} MRP: 4 -222.746 -222.746 13.8013 3.98694 protocols.relax.FastRelax: {0} CMD: accept_to_best -222.746 13.8013 3.98694 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -222.746 13.8013 3.98694 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_8.pdb protocols.relax.FastRelax: {0} CMD: repeat 64560.9 17.4389 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 64560.9 17.4389 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6849.79 17.4389 0 0.022 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 -130.435 17.4389 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -117.517 17.4389 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -262.721 17.3842 3.03773 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.721 17.3842 3.03773 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -104.222 17.3842 3.03773 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 -161.829 17.3842 3.03773 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -155.49 17.3842 3.03773 0.154 protocols.relax.FastRelax: {0} CMD: min -207.988 17.3122 2.88676 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.988 17.3122 2.88676 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.345 17.3122 2.88676 0.30745 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 -164.308 17.3122 2.88676 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -160.825 17.3122 2.88676 0.31955 protocols.relax.FastRelax: {0} CMD: min -184.763 17.3019 2.84841 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -184.763 17.3019 2.84841 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -145.569 17.3019 2.84841 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 -145.604 17.3019 2.84841 0.55 protocols.relax.FastRelax: {0} CMD: min -194.751 17.1437 2.96022 0.55 protocols.relax.FastRelax: {0} MRP: 0 -194.751 -194.751 17.1437 2.96022 protocols.relax.FastRelax: {0} CMD: accept_to_best -194.751 17.1437 2.96022 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -194.751 17.1437 2.96022 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.751 17.1437 2.96022 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.693 17.1437 2.96022 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3024 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -272.595 17.1437 2.96022 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.024 17.1437 2.96022 0.02805 protocols.relax.FastRelax: {0} CMD: min -318.365 16.8134 3.20865 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -318.365 16.8134 3.20865 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.387 16.8134 3.20865 0.14575 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 -206.867 16.8134 3.20865 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.727 16.8134 3.20865 0.154 protocols.relax.FastRelax: {0} CMD: min -259.152 17.0716 3.30862 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.152 17.0716 3.30862 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.001 17.0716 3.30862 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2715 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -216.925 17.0716 3.30862 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.572 17.0716 3.30862 0.31955 protocols.relax.FastRelax: {0} CMD: min -226.194 17.0899 3.184 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -226.194 17.0899 3.184 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.241 17.0899 3.184 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 -183.788 17.0899 3.184 0.55 protocols.relax.FastRelax: {0} CMD: min -216.001 16.607 3.44743 0.55 protocols.relax.FastRelax: {0} MRP: 1 -216.001 -216.001 16.607 3.44743 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.001 16.607 3.44743 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.001 16.607 3.44743 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.001 16.607 3.44743 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.536 16.607 3.44743 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2927 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -291.604 16.607 3.44743 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -288.988 16.607 3.44743 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.823 16.4038 3.56406 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.823 16.4038 3.56406 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.332 16.4038 3.56406 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2824 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -243.515 16.4038 3.56406 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.231 16.4038 3.56406 0.154 protocols.relax.FastRelax: {0} CMD: min -273.43 16.5321 3.47285 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.43 16.5321 3.47285 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.006 16.5321 3.47285 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2767 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -233.421 16.5321 3.47285 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.244 16.5321 3.47285 0.31955 protocols.relax.FastRelax: {0} CMD: min -238.262 16.6041 3.44873 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -238.262 16.6041 3.44873 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.386 16.6041 3.44873 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2468 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -193.703 16.6041 3.44873 0.55 protocols.relax.FastRelax: {0} CMD: min -220.972 16.5056 3.47242 0.55 protocols.relax.FastRelax: {0} MRP: 2 -220.972 -220.972 16.5056 3.47242 protocols.relax.FastRelax: {0} CMD: accept_to_best -220.972 16.5056 3.47242 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -220.972 16.5056 3.47242 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.972 16.5056 3.47242 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -285.383 16.5056 3.47242 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 -298.408 16.5056 3.47242 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.875 16.5056 3.47242 0.02805 protocols.relax.FastRelax: {0} CMD: min -332.309 16.2614 3.65061 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -332.309 16.2614 3.65061 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.605 16.2614 3.65061 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 -242.865 16.2614 3.65061 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.001 16.2614 3.65061 0.154 protocols.relax.FastRelax: {0} CMD: min -279.056 16.3976 3.48294 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -279.056 16.3976 3.48294 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.606 16.3976 3.48294 0.30745 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 -239.15 16.3976 3.48294 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.956 16.3976 3.48294 0.31955 protocols.relax.FastRelax: {0} CMD: min -248.578 16.5122 3.51363 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.578 16.5122 3.51363 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.08 16.5122 3.51363 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2670 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -208.095 16.5122 3.51363 0.55 protocols.relax.FastRelax: {0} CMD: min -228.372 16.5209 3.53042 0.55 protocols.relax.FastRelax: {0} MRP: 3 -228.372 -228.372 16.5209 3.53042 protocols.relax.FastRelax: {0} CMD: accept_to_best -228.372 16.5209 3.53042 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -228.372 16.5209 3.53042 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.372 16.5209 3.53042 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -291.539 16.5209 3.53042 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3086 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.564 16.5209 3.53042 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.633 16.5209 3.53042 0.02805 protocols.relax.FastRelax: {0} CMD: min -346.418 16.2284 3.74564 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -346.418 16.2284 3.74564 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.201 16.2284 3.74564 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 -235.393 16.2284 3.74564 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.229 16.2284 3.74564 0.154 protocols.relax.FastRelax: {0} CMD: min -286.93 16.3894 3.64876 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -286.93 16.3894 3.64876 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.012 16.3894 3.64876 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2743 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -245.468 16.3894 3.64876 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.183 16.3894 3.64876 0.31955 protocols.relax.FastRelax: {0} CMD: min -251.367 16.5003 3.61406 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -251.367 16.5003 3.61406 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.993 16.5003 3.61406 0.55 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 -208.111 16.5003 3.61406 0.55 protocols.relax.FastRelax: {0} CMD: min -226.034 16.5139 3.51642 0.55 protocols.relax.FastRelax: {0} MRP: 4 -226.034 -228.372 16.5209 3.53042 protocols.relax.FastRelax: {0} CMD: accept_to_best -226.034 16.5139 3.51642 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -226.034 16.5139 3.51642 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_27.pdb protocols.relax.FastRelax: {0} CMD: repeat 78857.8 13.915 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 78857.8 13.915 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 8039.06 13.915 0 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 183.478 13.915 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 230.527 13.915 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -199.272 11.7227 6.2057 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.272 11.7227 6.2057 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -56.2973 11.7227 6.2057 0.14575 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 -107.949 11.7227 6.2057 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -101.696 11.7227 6.2057 0.154 protocols.relax.FastRelax: {0} CMD: min 232.052 13.1253 5.96985 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 232.052 13.1253 5.96985 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 706.605 13.1253 5.96985 0.30745 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 -129.851 13.1253 5.96985 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.189 13.1253 5.96985 0.31955 protocols.relax.FastRelax: {0} CMD: min -177.653 12.8332 6.28296 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -177.653 12.8332 6.28296 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -136.525 12.8332 6.28296 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2051 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -136.75 12.8332 6.28296 0.55 protocols.relax.FastRelax: {0} CMD: min -162.981 12.8208 6.3789 0.55 protocols.relax.FastRelax: {0} MRP: 0 -162.981 -162.981 12.8208 6.3789 protocols.relax.FastRelax: {0} CMD: accept_to_best -162.981 12.8208 6.3789 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -162.981 12.8208 6.3789 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -162.981 12.8208 6.3789 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.726 12.8208 6.3789 0.022 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 -244.844 12.8208 6.3789 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.885 12.8208 6.3789 0.02805 protocols.relax.FastRelax: {0} CMD: min -304.493 12.8999 6.53424 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -304.493 12.8999 6.53424 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -150.561 12.8999 6.53424 0.14575 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 -171.411 12.8999 6.53424 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -163.266 12.8999 6.53424 0.154 protocols.relax.FastRelax: {0} CMD: min -236.606 12.6804 6.59751 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.606 12.6804 6.59751 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.467 12.6804 6.59751 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2262 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -193.744 12.6804 6.59751 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.241 12.6804 6.59751 0.31955 protocols.relax.FastRelax: {0} CMD: min -201.326 12.758 6.41397 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -201.326 12.758 6.41397 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.849 12.758 6.41397 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2059 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -153.299 12.758 6.41397 0.55 protocols.relax.FastRelax: {0} CMD: min -193.119 12.9157 6.71341 0.55 protocols.relax.FastRelax: {0} MRP: 1 -193.119 -193.119 12.9157 6.71341 protocols.relax.FastRelax: {0} CMD: accept_to_best -193.119 12.9157 6.71341 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -193.119 12.9157 6.71341 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.119 12.9157 6.71341 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -263.7 12.9157 6.71341 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2372 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -270.212 12.9157 6.71341 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.869 12.9157 6.71341 0.02805 protocols.relax.FastRelax: {0} CMD: min -321.124 12.6731 7.2169 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -321.124 12.6731 7.2169 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.746 12.6731 7.2169 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2582 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.142 12.6731 7.2169 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.818 12.6731 7.2169 0.154 protocols.relax.FastRelax: {0} CMD: min -258.972 12.633 6.89483 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.972 12.633 6.89483 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.224 12.633 6.89483 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 -215.319 12.633 6.89483 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.884 12.633 6.89483 0.31955 protocols.relax.FastRelax: {0} CMD: min -221.164 12.7691 6.90294 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.164 12.7691 6.90294 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.842 12.7691 6.90294 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 -174.971 12.7691 6.90294 0.55 protocols.relax.FastRelax: {0} CMD: min -200.08 12.632 7.25043 0.55 protocols.relax.FastRelax: {0} MRP: 2 -200.08 -200.08 12.632 7.25043 protocols.relax.FastRelax: {0} CMD: accept_to_best -200.08 12.632 7.25043 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -200.08 12.632 7.25043 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -200.08 12.632 7.25043 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.617 12.632 7.25043 0.022 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 -277.366 12.632 7.25043 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.74 12.632 7.25043 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.97 12.1954 7.41179 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.97 12.1954 7.41179 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.053 12.1954 7.41179 0.14575 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 -222.322 12.1954 7.41179 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.653 12.1954 7.41179 0.154 protocols.relax.FastRelax: {0} CMD: min -268.38 12.2898 7.27107 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -268.38 12.2898 7.27107 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.985 12.2898 7.27107 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2268 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -225.224 12.2898 7.27107 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.893 12.2898 7.27107 0.31955 protocols.relax.FastRelax: {0} CMD: min -229.349 12.4017 7.09355 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.349 12.4017 7.09355 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.443 12.4017 7.09355 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 -183.688 12.4017 7.09355 0.55 protocols.relax.FastRelax: {0} CMD: min -204.715 12.4176 7.28002 0.55 protocols.relax.FastRelax: {0} MRP: 3 -204.715 -204.715 12.4176 7.28002 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.715 12.4176 7.28002 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.715 12.4176 7.28002 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.715 12.4176 7.28002 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -274.649 12.4176 7.28002 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2536 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -280.046 12.4176 7.28002 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.358 12.4176 7.28002 0.02805 protocols.relax.FastRelax: {0} CMD: min -320.253 12.3842 7.4345 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -320.253 12.3842 7.4345 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.601 12.3842 7.4345 0.14575 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 -232.898 12.3842 7.4345 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.461 12.3842 7.4345 0.154 protocols.relax.FastRelax: {0} CMD: min -264.672 12.325 7.27536 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.672 12.325 7.27536 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.979 12.325 7.27536 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 -223.792 12.325 7.27536 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.536 12.325 7.27536 0.31955 protocols.relax.FastRelax: {0} CMD: min -233.287 12.3456 7.20308 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.287 12.3456 7.20308 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.721 12.3456 7.20308 0.55 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 -191.745 12.3456 7.20308 0.55 protocols.relax.FastRelax: {0} CMD: min -204.956 12.3944 7.27611 0.55 protocols.relax.FastRelax: {0} MRP: 4 -204.956 -204.956 12.3944 7.27611 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.956 12.3944 7.27611 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.956 12.3944 7.27611 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_4.pdb protocols.relax.FastRelax: {0} CMD: repeat 66889.5 15.6606 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 66889.5 15.6606 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6875.92 15.6606 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 -105.659 15.6606 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -75.0813 15.6606 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -288.464 16.9077 3.1324 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.464 16.9077 3.1324 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -103.051 16.9077 3.1324 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3347 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -137.036 16.9077 3.1324 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.937 16.9077 3.1324 0.154 protocols.relax.FastRelax: {0} CMD: min -224.356 17.0615 3.53072 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -224.356 17.0615 3.53072 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -166.394 17.0615 3.53072 0.30745 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 -168.837 17.0615 3.53072 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.469 17.0615 3.53072 0.31955 protocols.relax.FastRelax: {0} CMD: min -194.331 17.0387 3.84626 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -194.331 17.0387 3.84626 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -145.135 17.0387 3.84626 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3046 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -145.241 17.0387 3.84626 0.55 protocols.relax.FastRelax: {0} CMD: min -196.93 16.8155 5.45299 0.55 protocols.relax.FastRelax: {0} MRP: 0 -196.93 -196.93 16.8155 5.45299 protocols.relax.FastRelax: {0} CMD: accept_to_best -196.93 16.8155 5.45299 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -196.93 16.8155 5.45299 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.93 16.8155 5.45299 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.143 16.8155 5.45299 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 -286.165 16.8155 5.45299 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.862 16.8155 5.45299 0.02805 protocols.relax.FastRelax: {0} CMD: min -350.327 16.681 5.18208 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -350.327 16.681 5.18208 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.13 16.681 5.18208 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3684 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.349 16.681 5.18208 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.632 16.681 5.18208 0.154 protocols.relax.FastRelax: {0} CMD: min -277.819 16.6269 5.36183 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -277.819 16.6269 5.36183 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.371 16.6269 5.36183 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3195 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -226.027 16.6269 5.36183 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.954 16.6269 5.36183 0.31955 protocols.relax.FastRelax: {0} CMD: min -233.262 16.6142 5.69574 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.262 16.6142 5.69574 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.858 16.6142 5.69574 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 -181.462 16.6142 5.69574 0.55 protocols.relax.FastRelax: {0} CMD: min -210.098 16.5782 6.09994 0.55 protocols.relax.FastRelax: {0} MRP: 1 -210.098 -210.098 16.5782 6.09994 protocols.relax.FastRelax: {0} CMD: accept_to_best -210.098 16.5782 6.09994 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -210.098 16.5782 6.09994 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.098 16.5782 6.09994 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -287.112 16.5782 6.09994 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3460 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -301.463 16.5782 6.09994 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.947 16.5782 6.09994 0.02805 protocols.relax.FastRelax: {0} CMD: min -350.787 16.5688 5.66459 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -350.787 16.5688 5.66459 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.586 16.5688 5.66459 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3894 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -226.156 16.5688 5.66459 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.054 16.5688 5.66459 0.154 protocols.relax.FastRelax: {0} CMD: min -288.775 16.6119 5.82245 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -288.775 16.6119 5.82245 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -238.673 16.6119 5.82245 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3142 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -239.479 16.6119 5.82245 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.537 16.6119 5.82245 0.31955 protocols.relax.FastRelax: {0} CMD: min -248.046 16.5912 5.94443 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.046 16.5912 5.94443 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.777 16.5912 5.94443 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2833 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -197.766 16.5912 5.94443 0.55 protocols.relax.FastRelax: {0} CMD: min -221.414 16.4909 6.30363 0.55 protocols.relax.FastRelax: {0} MRP: 2 -221.414 -221.414 16.4909 6.30363 protocols.relax.FastRelax: {0} CMD: accept_to_best -221.414 16.4909 6.30363 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -221.414 16.4909 6.30363 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.414 16.4909 6.30363 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.533 16.4909 6.30363 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3599 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -307.9 16.4909 6.30363 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.351 16.4909 6.30363 0.02805 protocols.relax.FastRelax: {0} CMD: min -347.907 16.445 6.14639 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -347.907 16.445 6.14639 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -192.371 16.445 6.14639 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3670 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -252.371 16.445 6.14639 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.117 16.445 6.14639 0.154 protocols.relax.FastRelax: {0} CMD: min -289.691 16.4332 6.21383 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -289.691 16.4332 6.21383 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.614 16.4332 6.21383 0.30745 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 -241.14 16.4332 6.21383 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -237.282 16.4332 6.21383 0.31955 protocols.relax.FastRelax: {0} CMD: min -250.377 16.4572 6.28709 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.377 16.4572 6.28709 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.836 16.4572 6.28709 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 -200.382 16.4572 6.28709 0.55 protocols.relax.FastRelax: {0} CMD: min -223.294 16.5205 6.32311 0.55 protocols.relax.FastRelax: {0} MRP: 3 -223.294 -223.294 16.5205 6.32311 protocols.relax.FastRelax: {0} CMD: accept_to_best -223.294 16.5205 6.32311 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -223.294 16.5205 6.32311 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -223.294 16.5205 6.32311 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.818 16.5205 6.32311 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3567 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -308.797 16.5205 6.32311 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.963 16.5205 6.32311 0.02805 protocols.relax.FastRelax: {0} CMD: min -348.682 16.4266 6.03926 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -348.682 16.4266 6.03926 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.38 16.4266 6.03926 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3627 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -248.663 16.4266 6.03926 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.338 16.4266 6.03926 0.154 protocols.relax.FastRelax: {0} CMD: min -292.764 16.465 6.20505 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.764 16.465 6.20505 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.585 16.465 6.20505 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3042 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -244.111 16.465 6.20505 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.254 16.465 6.20505 0.31955 protocols.relax.FastRelax: {0} CMD: min -250.728 16.4684 6.26372 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -250.728 16.4684 6.26372 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.9 16.4684 6.26372 0.55 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 -199.295 16.4684 6.26372 0.55 protocols.relax.FastRelax: {0} CMD: min -222.958 16.52 6.2822 0.55 protocols.relax.FastRelax: {0} MRP: 4 -222.958 -223.294 16.5205 6.32311 protocols.relax.FastRelax: {0} CMD: accept_to_best -222.958 16.52 6.2822 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -222.958 16.52 6.2822 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_14.pdb protocols.relax.FastRelax: {0} CMD: repeat 73645.3 11.5887 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73645.3 11.5887 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7583.79 11.5887 0 0.022 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 72.1776 11.5887 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 96.5244 11.5887 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -210.046 10.4918 3.49005 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -210.046 10.4918 3.49005 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 41.6123 10.4918 3.49005 0.14575 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 -71.5207 10.4918 3.49005 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -62.6044 10.4918 3.49005 0.154 protocols.relax.FastRelax: {0} CMD: min -216.991 10.6104 4.85666 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.991 10.6104 4.85666 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.821 10.6104 4.85666 0.30745 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 -176.844 10.6104 4.85666 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -173.259 10.6104 4.85666 0.31955 protocols.relax.FastRelax: {0} CMD: min -186.241 10.8865 4.52232 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -186.241 10.8865 4.52232 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -139.752 10.8865 4.52232 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2287 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -140.006 10.8865 4.52232 0.55 protocols.relax.FastRelax: {0} CMD: min -190.732 10.057 4.57396 0.55 protocols.relax.FastRelax: {0} MRP: 0 -190.732 -190.732 10.057 4.57396 protocols.relax.FastRelax: {0} CMD: accept_to_best -190.732 10.057 4.57396 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -190.732 10.057 4.57396 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.732 10.057 4.57396 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.612 10.057 4.57396 0.022 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 -274.96 10.057 4.57396 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.15 10.057 4.57396 0.02805 protocols.relax.FastRelax: {0} CMD: min -329.737 10.2446 5.00718 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -329.737 10.2446 5.00718 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.327 10.2446 5.00718 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 -191.717 10.2446 5.00718 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.71 10.2446 5.00718 0.154 protocols.relax.FastRelax: {0} CMD: min -258.761 10.4469 5.19539 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.761 10.4469 5.19539 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.518 10.4469 5.19539 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 -211.31 10.4469 5.19539 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.563 10.4469 5.19539 0.31955 protocols.relax.FastRelax: {0} CMD: min -220.719 10.8227 5.26394 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.719 10.8227 5.26394 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.896 10.8227 5.26394 0.55 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 -175.014 10.8227 5.26394 0.55 protocols.relax.FastRelax: {0} CMD: min -203.556 10.6026 5.21629 0.55 protocols.relax.FastRelax: {0} MRP: 1 -203.556 -203.556 10.6026 5.21629 protocols.relax.FastRelax: {0} CMD: accept_to_best -203.556 10.6026 5.21629 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -203.556 10.6026 5.21629 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -203.556 10.6026 5.21629 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -271.959 10.6026 5.21629 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2558 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -284.545 10.6026 5.21629 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -280.173 10.6026 5.21629 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.409 10.4382 5.0266 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.409 10.4382 5.0266 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.613 10.4382 5.0266 0.14575 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 -183.107 10.4382 5.0266 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.475 10.4382 5.0266 0.154 protocols.relax.FastRelax: {0} CMD: min -262.617 10.5151 4.68503 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.617 10.5151 4.68503 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.82 10.5151 4.68503 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2577 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -220.719 10.5151 4.68503 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.351 10.5151 4.68503 0.31955 protocols.relax.FastRelax: {0} CMD: min -229.016 10.7057 4.76188 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.016 10.7057 4.76188 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.621 10.7057 4.76188 0.55 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 -185.858 10.7057 4.76188 0.55 protocols.relax.FastRelax: {0} CMD: min -207.612 10.4817 4.81194 0.55 protocols.relax.FastRelax: {0} MRP: 2 -207.612 -207.612 10.4817 4.81194 protocols.relax.FastRelax: {0} CMD: accept_to_best -207.612 10.4817 4.81194 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -207.612 10.4817 4.81194 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.612 10.4817 4.81194 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.05 10.4817 4.81194 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2476 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -289.616 10.4817 4.81194 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.316 10.4817 4.81194 0.02805 protocols.relax.FastRelax: {0} CMD: min -336.173 10.2902 4.74679 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -336.173 10.2902 4.74679 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -156.625 10.2902 4.74679 0.14575 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 -178.944 10.2902 4.74679 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -168.382 10.2902 4.74679 0.154 protocols.relax.FastRelax: {0} CMD: min -274.074 10.4807 4.80283 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.074 10.4807 4.80283 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.576 10.4807 4.80283 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2516 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -225.902 10.4807 4.80283 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.087 10.4807 4.80283 0.31955 protocols.relax.FastRelax: {0} CMD: min -235.148 10.4784 4.83122 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.148 10.4784 4.83122 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.268 10.4784 4.83122 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2338 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -186.47 10.4784 4.83122 0.55 protocols.relax.FastRelax: {0} CMD: min -213.53 10.8071 4.6855 0.55 protocols.relax.FastRelax: {0} MRP: 3 -213.53 -213.53 10.8071 4.6855 protocols.relax.FastRelax: {0} CMD: accept_to_best -213.53 10.8071 4.6855 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -213.53 10.8071 4.6855 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.53 10.8071 4.6855 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -284.303 10.8071 4.6855 0.022 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 -293.324 10.8071 4.6855 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.906 10.8071 4.6855 0.02805 protocols.relax.FastRelax: {0} CMD: min -338.328 10.5356 4.64168 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -338.328 10.5356 4.64168 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.516 10.5356 4.64168 0.14575 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 -213.126 10.5356 4.64168 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.376 10.5356 4.64168 0.154 protocols.relax.FastRelax: {0} CMD: min -276.358 10.6485 4.69633 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -276.358 10.6485 4.69633 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.901 10.6485 4.69633 0.30745 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 -233.436 10.6485 4.69633 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.021 10.6485 4.69633 0.31955 protocols.relax.FastRelax: {0} CMD: min -233.812 10.6785 4.65025 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.812 10.6785 4.65025 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -177.034 10.6785 4.65025 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2409 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -177.547 10.6785 4.65025 0.55 protocols.relax.FastRelax: {0} CMD: min -211.555 10.7988 4.66753 0.55 protocols.relax.FastRelax: {0} MRP: 4 -211.555 -213.53 10.8071 4.6855 protocols.relax.FastRelax: {0} CMD: accept_to_best -211.555 10.7988 4.66753 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -211.555 10.7988 4.66753 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_21.pdb protocols.relax.FastRelax: {0} CMD: repeat 73667.3 12.5027 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73667.3 12.5027 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7419.89 12.5027 0 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 -41.9356 12.5027 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 1.00247 12.5027 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -252.676 12.5961 2.66334 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -252.676 12.5961 2.66334 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -117.792 12.5961 2.66334 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 -142.148 12.5961 2.66334 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -135.111 12.5961 2.66334 0.154 protocols.relax.FastRelax: {0} CMD: min -221.974 12.4934 2.49072 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.974 12.4934 2.49072 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.344 12.4934 2.49072 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2550 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -188.496 12.4934 2.49072 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.659 12.4934 2.49072 0.31955 protocols.relax.FastRelax: {0} CMD: min -196.142 12.453 2.44509 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.142 12.453 2.44509 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.376 12.453 2.44509 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 -157.949 12.453 2.44509 0.55 protocols.relax.FastRelax: {0} CMD: min -198.771 12.1638 2.71228 0.55 protocols.relax.FastRelax: {0} MRP: 0 -198.771 -198.771 12.1638 2.71228 protocols.relax.FastRelax: {0} CMD: accept_to_best -198.771 12.1638 2.71228 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -198.771 12.1638 2.71228 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -198.771 12.1638 2.71228 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -254.342 12.1638 2.71228 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 -267.331 12.1638 2.71228 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -265.464 12.1638 2.71228 0.02805 protocols.relax.FastRelax: {0} CMD: min -317.09 12.2166 2.53772 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.09 12.2166 2.53772 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.268 12.2166 2.53772 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3144 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -209.827 12.2166 2.53772 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -203.479 12.2166 2.53772 0.154 protocols.relax.FastRelax: {0} CMD: min -262.842 12.1882 2.46454 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.842 12.1882 2.46454 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.936 12.1882 2.46454 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 -223.988 12.1882 2.46454 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.042 12.1882 2.46454 0.31955 protocols.relax.FastRelax: {0} CMD: min -229.732 12.2362 2.51394 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.732 12.2362 2.51394 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.569 12.2362 2.51394 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 -190.095 12.2362 2.51394 0.55 protocols.relax.FastRelax: {0} CMD: min -212.591 12.1548 2.28855 0.55 protocols.relax.FastRelax: {0} MRP: 1 -212.591 -212.591 12.1548 2.28855 protocols.relax.FastRelax: {0} CMD: accept_to_best -212.591 12.1548 2.28855 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -212.591 12.1548 2.28855 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.591 12.1548 2.28855 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.942 12.1548 2.28855 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 -279.826 12.1548 2.28855 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.927 12.1548 2.28855 0.02805 protocols.relax.FastRelax: {0} CMD: min -317.506 12.0402 2.34492 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.506 12.0402 2.34492 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.043 12.0402 2.34492 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2994 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -229.864 12.0402 2.34492 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.323 12.0402 2.34492 0.154 protocols.relax.FastRelax: {0} CMD: min -264.861 12.0736 2.26437 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.861 12.0736 2.26437 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.468 12.0736 2.26437 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2938 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -225.685 12.0736 2.26437 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.698 12.0736 2.26437 0.31955 protocols.relax.FastRelax: {0} CMD: min -235.093 12.1122 2.26605 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.093 12.1122 2.26605 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.631 12.1122 2.26605 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2767 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -197.653 12.1122 2.26605 0.55 protocols.relax.FastRelax: {0} CMD: min -215.851 12.1086 2.34126 0.55 protocols.relax.FastRelax: {0} MRP: 2 -215.851 -215.851 12.1086 2.34126 protocols.relax.FastRelax: {0} CMD: accept_to_best -215.851 12.1086 2.34126 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -215.851 12.1086 2.34126 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.851 12.1086 2.34126 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.366 12.1086 2.34126 0.022 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 -283.716 12.1086 2.34126 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.604 12.1086 2.34126 0.02805 protocols.relax.FastRelax: {0} CMD: min -317.959 11.9983 2.34678 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.959 11.9983 2.34678 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.256 11.9983 2.34678 0.14575 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 -229.251 11.9983 2.34678 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -223.686 11.9983 2.34678 0.154 protocols.relax.FastRelax: {0} CMD: min -266.83 12.0273 2.32832 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -266.83 12.0273 2.32832 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.193 12.0273 2.32832 0.30745 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 -229.889 12.0273 2.32832 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.958 12.0273 2.32832 0.31955 protocols.relax.FastRelax: {0} CMD: min -236.158 12.1041 2.31301 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.158 12.1041 2.31301 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.137 12.1041 2.31301 0.55 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 -197.197 12.1041 2.31301 0.55 protocols.relax.FastRelax: {0} CMD: min -219.154 12.1352 2.3854 0.55 protocols.relax.FastRelax: {0} MRP: 3 -219.154 -219.154 12.1352 2.3854 protocols.relax.FastRelax: {0} CMD: accept_to_best -219.154 12.1352 2.3854 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -219.154 12.1352 2.3854 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -219.154 12.1352 2.3854 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -278.465 12.1352 2.3854 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2403 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -285.637 12.1352 2.3854 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -283.148 12.1352 2.3854 0.02805 protocols.relax.FastRelax: {0} CMD: min -318.36 12.0153 2.36298 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -318.36 12.0153 2.36298 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.168 12.0153 2.36298 0.14575 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 -241.023 12.0153 2.36298 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.04 12.0153 2.36298 0.154 protocols.relax.FastRelax: {0} CMD: min -273.606 12.0721 2.27932 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -273.606 12.0721 2.27932 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.946 12.0721 2.27932 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2653 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -237.057 12.0721 2.27932 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.179 12.0721 2.27932 0.31955 protocols.relax.FastRelax: {0} CMD: min -240.7 12.1535 2.34005 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -240.7 12.1535 2.34005 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -201.01 12.1535 2.34005 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2524 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -201.169 12.1535 2.34005 0.55 protocols.relax.FastRelax: {0} CMD: min -221.472 12.1246 2.37613 0.55 protocols.relax.FastRelax: {0} MRP: 4 -221.472 -221.472 12.1246 2.37613 protocols.relax.FastRelax: {0} CMD: accept_to_best -221.472 12.1246 2.37613 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -221.472 12.1246 2.37613 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_49.pdb protocols.relax.FastRelax: {0} CMD: repeat 75282.7 15.0259 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 75282.7 15.0259 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 8117.35 15.0259 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2941 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -81.4988 15.0259 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -57.4058 15.0259 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -209.996 14.6564 11.8867 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -209.996 14.6564 11.8867 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -72.4455 14.6564 11.8867 0.14575 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 -106.775 14.6564 11.8867 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -100.559 14.6564 11.8867 0.154 protocols.relax.FastRelax: {0} CMD: min -188.117 14.0449 11.5536 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -188.117 14.0449 11.5536 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.83 14.0449 11.5536 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2093 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -156.401 14.0449 11.5536 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.781 14.0449 11.5536 0.31955 protocols.relax.FastRelax: {0} CMD: min -161.513 14.4199 11.3939 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -161.513 14.4199 11.3939 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.861 14.4199 11.3939 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2062 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -125.075 14.4199 11.3939 0.55 protocols.relax.FastRelax: {0} CMD: min -169.602 15.0579 13.741 0.55 protocols.relax.FastRelax: {0} MRP: 0 -169.602 -169.602 15.0579 13.741 protocols.relax.FastRelax: {0} CMD: accept_to_best -169.602 15.0579 13.741 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -169.602 15.0579 13.741 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -169.602 15.0579 13.741 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.677 15.0579 13.741 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2215 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -240.661 15.0579 13.741 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.748 15.0579 13.741 0.02805 protocols.relax.FastRelax: {0} CMD: min -272.232 14.2842 13.0526 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.232 14.2842 13.0526 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -170.392 14.2842 13.0526 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2248 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -189.678 14.2842 13.0526 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.51 14.2842 13.0526 0.154 protocols.relax.FastRelax: {0} CMD: min -233.222 14.4855 12.9976 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.222 14.4855 12.9976 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -200.892 14.4855 12.9976 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2122 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -201.007 14.4855 12.9976 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.465 14.4855 12.9976 0.31955 protocols.relax.FastRelax: {0} CMD: min -199.611 14.4705 12.9831 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.611 14.4705 12.9831 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -153.089 14.4705 12.9831 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2086 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -153.901 14.4705 12.9831 0.55 protocols.relax.FastRelax: {0} CMD: min -193.503 14.3653 12.7825 0.55 protocols.relax.FastRelax: {0} MRP: 1 -193.503 -193.503 14.3653 12.7825 protocols.relax.FastRelax: {0} CMD: accept_to_best -193.503 14.3653 12.7825 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -193.503 14.3653 12.7825 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.503 14.3653 12.7825 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.288 14.3653 12.7825 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2260 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -257.656 14.3653 12.7825 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.688 14.3653 12.7825 0.02805 protocols.relax.FastRelax: {0} CMD: min -284.899 13.943 14.0254 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.899 13.943 14.0254 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.417 13.943 14.0254 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2223 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -219.435 13.943 14.0254 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -215.396 13.943 14.0254 0.154 protocols.relax.FastRelax: {0} CMD: min -244.9 13.8843 13.1151 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -244.9 13.8843 13.1151 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.496 13.8843 13.1151 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2160 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.606 13.8843 13.1151 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.061 13.8843 13.1151 0.31955 protocols.relax.FastRelax: {0} CMD: min -212.912 13.8673 13.1507 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.912 13.8673 13.1507 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.385 13.8673 13.1507 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2070 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -169.906 13.8673 13.1507 0.55 protocols.relax.FastRelax: {0} CMD: min -196.069 13.9456 12.5508 0.55 protocols.relax.FastRelax: {0} MRP: 2 -196.069 -196.069 13.9456 12.5508 protocols.relax.FastRelax: {0} CMD: accept_to_best -196.069 13.9456 12.5508 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -196.069 13.9456 12.5508 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.069 13.9456 12.5508 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.973 13.9456 12.5508 0.022 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 -259.324 13.9456 12.5508 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -256.727 13.9456 12.5508 0.02805 protocols.relax.FastRelax: {0} CMD: min -263.937 14.0204 12.6992 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.937 14.0204 12.6992 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.732 14.0204 12.6992 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2151 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -233.001 14.0204 12.6992 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -231.308 14.0204 12.6992 0.154 protocols.relax.FastRelax: {0} CMD: min -236.195 13.9813 12.8978 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.195 13.9813 12.8978 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.396 13.9813 12.8978 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2274 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.675 13.9813 12.8978 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -210.634 13.9813 12.8978 0.31955 protocols.relax.FastRelax: {0} CMD: min -216.602 13.818 12.7717 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -216.602 13.818 12.7717 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -184.603 13.818 12.7717 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2228 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -184.338 13.818 12.7717 0.55 protocols.relax.FastRelax: {0} CMD: min -196.658 13.894 12.3009 0.55 protocols.relax.FastRelax: {0} MRP: 3 -196.658 -196.658 13.894 12.3009 protocols.relax.FastRelax: {0} CMD: accept_to_best -196.658 13.894 12.3009 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -196.658 13.894 12.3009 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -196.658 13.894 12.3009 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.376 13.894 12.3009 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2346 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -259.522 13.894 12.3009 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -257.633 13.894 12.3009 0.02805 protocols.relax.FastRelax: {0} CMD: min -263.494 13.9332 12.3347 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -263.494 13.9332 12.3347 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -221.462 13.9332 12.3347 0.14575 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 -237.688 13.9332 12.3347 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -236.197 13.9332 12.3347 0.154 protocols.relax.FastRelax: {0} CMD: min -241.634 13.8448 12.55 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.634 13.8448 12.55 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.039 13.8448 12.55 0.30745 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 -218.245 13.8448 12.55 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.372 13.8448 12.55 0.31955 protocols.relax.FastRelax: {0} CMD: min -217.448 13.8271 12.5563 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -217.448 13.8271 12.5563 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.329 13.8271 12.5563 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2236 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -183.386 13.8271 12.5563 0.55 protocols.relax.FastRelax: {0} CMD: min -196.601 13.8877 12.284 0.55 protocols.relax.FastRelax: {0} MRP: 4 -196.601 -196.658 13.894 12.3009 protocols.relax.FastRelax: {0} CMD: accept_to_best -196.601 13.8877 12.284 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -196.601 13.8877 12.284 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_11.pdb protocols.relax.FastRelax: {0} CMD: repeat 73346.9 16.4806 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 73346.9 16.4806 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7981.01 16.4806 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2175 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 143.607 16.4806 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 160.325 16.4806 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -207.787 17.033 4.94463 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.787 17.033 4.94463 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 37.3953 17.033 4.94463 0.14575 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 -133.01 17.033 4.94463 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -126.046 17.033 4.94463 0.154 protocols.relax.FastRelax: {0} CMD: min -187.055 17.562 5.47868 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -187.055 17.562 5.47868 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -129.808 17.562 5.47868 0.30745 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 -132.124 17.562 5.47868 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -127.641 17.562 5.47868 0.31955 protocols.relax.FastRelax: {0} CMD: min -168.366 17.6438 6.07028 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -168.366 17.6438 6.07028 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -117.956 17.6438 6.07028 0.55 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 -118.99 17.6438 6.07028 0.55 protocols.relax.FastRelax: {0} CMD: min -181.948 17.9826 6.79485 0.55 protocols.relax.FastRelax: {0} MRP: 0 -181.948 -181.948 17.9826 6.79485 protocols.relax.FastRelax: {0} CMD: accept_to_best -181.948 17.9826 6.79485 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -181.948 17.9826 6.79485 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -181.948 17.9826 6.79485 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.851 17.9826 6.79485 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2788 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.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 17.9826 6.79485 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -268.292 17.9826 6.79485 0.02805 protocols.relax.FastRelax: {0} CMD: min -312.204 17.3175 6.69639 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -312.204 17.3175 6.69639 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.947 17.3175 6.69639 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 -211.168 17.3175 6.69639 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.408 17.3175 6.69639 0.154 protocols.relax.FastRelax: {0} CMD: min -242.06 17.4446 7.00574 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -242.06 17.4446 7.00574 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.142 17.4446 7.00574 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 -197.606 17.4446 7.00574 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.161 17.4446 7.00574 0.31955 protocols.relax.FastRelax: {0} CMD: min -214.592 17.7047 7.07693 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -214.592 17.7047 7.07693 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -172.167 17.7047 7.07693 0.55 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 -175.37 17.7047 7.07693 0.55 protocols.relax.FastRelax: {0} CMD: min -199.573 17.6321 7.24533 0.55 protocols.relax.FastRelax: {0} MRP: 1 -199.573 -199.573 17.6321 7.24533 protocols.relax.FastRelax: {0} CMD: accept_to_best -199.573 17.6321 7.24533 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -199.573 17.6321 7.24533 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -199.573 17.6321 7.24533 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.097 17.6321 7.24533 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2837 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -277.844 17.6321 7.24533 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.127 17.6321 7.24533 0.02805 protocols.relax.FastRelax: {0} CMD: min -315.672 17.3432 6.94065 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -315.672 17.3432 6.94065 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.274 17.3432 6.94065 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 -228.1 17.3432 6.94065 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.892 17.3432 6.94065 0.154 protocols.relax.FastRelax: {0} CMD: min -261.546 17.5052 7.11678 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -261.546 17.5052 7.11678 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -220.839 17.5052 7.11678 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 -222.055 17.5052 7.11678 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.806 17.5052 7.11678 0.31955 protocols.relax.FastRelax: {0} CMD: min -227.377 17.5063 7.23779 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.377 17.5063 7.23779 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -181.057 17.5063 7.23779 0.55 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 -181.247 17.5063 7.23779 0.55 protocols.relax.FastRelax: {0} CMD: min -202.623 17.6443 7.28178 0.55 protocols.relax.FastRelax: {0} MRP: 2 -202.623 -202.623 17.6443 7.28178 protocols.relax.FastRelax: {0} CMD: accept_to_best -202.623 17.6443 7.28178 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -202.623 17.6443 7.28178 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -202.623 17.6443 7.28178 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.398 17.6443 7.28178 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 -278.706 17.6443 7.28178 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -276.303 17.6443 7.28178 0.02805 protocols.relax.FastRelax: {0} CMD: min -301.807 17.4903 7.12153 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -301.807 17.4903 7.12153 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.766 17.4903 7.12153 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2665 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -239.575 17.4903 7.12153 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -235.655 17.4903 7.12153 0.154 protocols.relax.FastRelax: {0} CMD: min -262.76 17.565 7.01603 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -262.76 17.565 7.01603 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -227.066 17.565 7.01603 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2665 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -227.249 17.565 7.01603 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -224.434 17.565 7.01603 0.31955 protocols.relax.FastRelax: {0} CMD: min -230.418 17.565 7.20016 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.418 17.565 7.20016 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -188.919 17.565 7.20016 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 -188.937 17.565 7.20016 0.55 protocols.relax.FastRelax: {0} CMD: min -204.858 17.6924 7.33172 0.55 protocols.relax.FastRelax: {0} MRP: 3 -204.858 -204.858 17.6924 7.33172 protocols.relax.FastRelax: {0} CMD: accept_to_best -204.858 17.6924 7.33172 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -204.858 17.6924 7.33172 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -204.858 17.6924 7.33172 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -270.839 17.6924 7.33172 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 -278.14 17.6924 7.33172 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -275.823 17.6924 7.33172 0.02805 protocols.relax.FastRelax: {0} CMD: min -307.869 17.5536 7.05819 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -307.869 17.5536 7.05819 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.567 17.5536 7.05819 0.14575 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 -223.415 17.5536 7.05819 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.655 17.5536 7.05819 0.154 protocols.relax.FastRelax: {0} CMD: min -256.335 17.691 6.92665 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -256.335 17.691 6.92665 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.87 17.691 6.92665 0.30745 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 -222.636 17.691 6.92665 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.883 17.691 6.92665 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.653 17.8121 6.85873 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.653 17.8121 6.85873 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -186.679 17.8121 6.85873 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 -187.172 17.8121 6.85873 0.55 protocols.relax.FastRelax: {0} CMD: min -205.997 17.931 6.72635 0.55 protocols.relax.FastRelax: {0} MRP: 4 -205.997 -205.997 17.931 6.72635 protocols.relax.FastRelax: {0} CMD: accept_to_best -205.997 17.931 6.72635 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -205.997 17.931 6.72635 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_2.pdb protocols.relax.FastRelax: {0} CMD: repeat 74712.5 15.0136 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 74712.5 15.0136 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 8348.16 15.0136 0 0.022 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 133.61 15.0136 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 164.614 15.0136 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -272.302 15.2268 1.96935 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -272.302 15.2268 1.96935 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -149.603 15.2268 1.96935 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 -174.924 15.2268 1.96935 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.12 15.2268 1.96935 0.154 protocols.relax.FastRelax: {0} CMD: min -239.541 15.356 2.39412 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -239.541 15.356 2.39412 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -197.11 15.356 2.39412 0.30745 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 -199.231 15.356 2.39412 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -195.927 15.356 2.39412 0.31955 protocols.relax.FastRelax: {0} CMD: min -205.83 15.3797 2.37168 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.83 15.3797 2.37168 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -161.089 15.3797 2.37168 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 -161.374 15.3797 2.37168 0.55 protocols.relax.FastRelax: {0} CMD: min -190.726 15.5048 2.91421 0.55 protocols.relax.FastRelax: {0} MRP: 0 -190.726 -190.726 15.5048 2.91421 protocols.relax.FastRelax: {0} CMD: accept_to_best -190.726 15.5048 2.91421 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -190.726 15.5048 2.91421 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -190.726 15.5048 2.91421 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.321 15.5048 2.91421 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 -272.121 15.5048 2.91421 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -269.931 15.5048 2.91421 0.02805 protocols.relax.FastRelax: {0} CMD: min -325.828 15.5097 3.36862 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -325.828 15.5097 3.36862 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.185 15.5097 3.36862 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2764 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -215.048 15.5097 3.36862 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.1 15.5097 3.36862 0.154 protocols.relax.FastRelax: {0} CMD: min -264.974 15.4792 3.31238 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.974 15.4792 3.31238 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -219.57 15.4792 3.31238 0.30745 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 -220.627 15.4792 3.31238 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.136 15.4792 3.31238 0.31955 protocols.relax.FastRelax: {0} CMD: min -233.763 15.4792 3.33566 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -233.763 15.4792 3.33566 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -191.707 15.4792 3.33566 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 -191.999 15.4792 3.33566 0.55 protocols.relax.FastRelax: {0} CMD: min -220.057 15.4941 3.43341 0.55 protocols.relax.FastRelax: {0} MRP: 1 -220.057 -220.057 15.4941 3.43341 protocols.relax.FastRelax: {0} CMD: accept_to_best -220.057 15.4941 3.43341 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -220.057 15.4941 3.43341 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -220.057 15.4941 3.43341 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.146 15.4941 3.43341 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 -298.282 15.4941 3.43341 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -295.98 15.4941 3.43341 0.02805 protocols.relax.FastRelax: {0} CMD: min -356.746 15.6517 3.78638 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -356.746 15.6517 3.78638 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.299 15.6517 3.78638 0.14575 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 -239.41 15.6517 3.78638 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -232.161 15.6517 3.78638 0.154 protocols.relax.FastRelax: {0} CMD: min -292.106 15.5335 3.78315 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.106 15.5335 3.78315 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.45 15.5335 3.78315 0.30745 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 -247.067 15.5335 3.78315 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -243.501 15.5335 3.78315 0.31955 protocols.relax.FastRelax: {0} CMD: min -257.33 15.5395 3.67113 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.33 15.5395 3.67113 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -212.535 15.5395 3.67113 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2544 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -212.77 15.5395 3.67113 0.55 protocols.relax.FastRelax: {0} CMD: min -231.573 15.5598 3.63928 0.55 protocols.relax.FastRelax: {0} MRP: 2 -231.573 -231.573 15.5598 3.63928 protocols.relax.FastRelax: {0} CMD: accept_to_best -231.573 15.5598 3.63928 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -231.573 15.5598 3.63928 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.573 15.5598 3.63928 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.79 15.5598 3.63928 0.022 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 -311.808 15.5598 3.63928 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -309.732 15.5598 3.63928 0.02805 protocols.relax.FastRelax: {0} CMD: min -352.567 15.5931 3.83159 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -352.567 15.5931 3.83159 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -240.838 15.5931 3.83159 0.14575 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 -259.585 15.5931 3.83159 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.888 15.5931 3.83159 0.154 protocols.relax.FastRelax: {0} CMD: min -294.068 15.62 3.79597 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -294.068 15.62 3.79597 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -250.683 15.62 3.79597 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2938 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -251.832 15.62 3.79597 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.48 15.62 3.79597 0.31955 protocols.relax.FastRelax: {0} CMD: min -260.369 15.6109 3.76663 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -260.369 15.6109 3.76663 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.405 15.6109 3.76663 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2555 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -217.424 15.6109 3.76663 0.55 protocols.relax.FastRelax: {0} CMD: min -230.869 15.6297 3.72444 0.55 protocols.relax.FastRelax: {0} MRP: 3 -230.869 -231.573 15.5598 3.63928 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.869 15.6297 3.72444 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.869 15.6297 3.72444 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.869 15.6297 3.72444 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.906 15.6297 3.72444 0.022 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 -316.646 15.6297 3.72444 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -314.273 15.6297 3.72444 0.02805 protocols.relax.FastRelax: {0} CMD: min -366.917 15.6313 4.03113 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -366.917 15.6313 4.03113 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.231 15.6313 4.03113 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 -241.104 15.6313 4.03113 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.258 15.6313 4.03113 0.154 protocols.relax.FastRelax: {0} CMD: min -297.136 15.6221 3.95938 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -297.136 15.6221 3.95938 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.639 15.6221 3.95938 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2720 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -249.508 15.6221 3.95938 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.683 15.6221 3.95938 0.31955 protocols.relax.FastRelax: {0} CMD: min -258.884 15.6608 3.88717 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.884 15.6608 3.88717 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.949 15.6608 3.88717 0.55 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 -212.186 15.6608 3.88717 0.55 protocols.relax.FastRelax: {0} CMD: min -229.653 15.7167 3.81735 0.55 protocols.relax.FastRelax: {0} MRP: 4 -229.653 -231.573 15.5598 3.63928 protocols.relax.FastRelax: {0} CMD: accept_to_best -229.653 15.7167 3.81735 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -229.653 15.7167 3.81735 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_7.pdb protocols.relax.FastRelax: {0} CMD: repeat 68868.1 13.4014 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68868.1 13.4014 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7743.42 13.4014 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2403 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 137.527 13.4014 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 170.605 13.4014 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -264.215 13.1023 3.52553 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -264.215 13.1023 3.52553 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -109.435 13.1023 3.52553 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2647 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -133.144 13.1023 3.52553 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.615 13.1023 3.52553 0.154 protocols.relax.FastRelax: {0} CMD: min -208.43 13.2983 3.70611 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.43 13.2983 3.70611 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.329 13.2983 3.70611 0.30745 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 -161.245 13.2983 3.70611 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -157.451 13.2983 3.70611 0.31955 protocols.relax.FastRelax: {0} CMD: min -169.983 13.4843 3.73856 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -169.983 13.4843 3.73856 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -116.158 13.4843 3.73856 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 -116.874 13.4843 3.73856 0.55 protocols.relax.FastRelax: {0} CMD: min -182.338 13.0507 5.09265 0.55 protocols.relax.FastRelax: {0} MRP: 0 -182.338 -182.338 13.0507 5.09265 protocols.relax.FastRelax: {0} CMD: accept_to_best -182.338 13.0507 5.09265 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -182.338 13.0507 5.09265 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -182.338 13.0507 5.09265 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.667 13.0507 5.09265 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2376 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -269.236 13.0507 5.09265 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -267.072 13.0507 5.09265 0.02805 protocols.relax.FastRelax: {0} CMD: min -317.068 12.72 5.23135 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -317.068 12.72 5.23135 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -189.219 12.72 5.23135 0.14575 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 -214.178 12.72 5.23135 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.546 12.72 5.23135 0.154 protocols.relax.FastRelax: {0} CMD: min -258.195 12.8568 5.1998 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -258.195 12.8568 5.1998 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -211.034 12.8568 5.1998 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2323 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.707 12.8568 5.1998 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.041 12.8568 5.1998 0.31955 protocols.relax.FastRelax: {0} CMD: min -221.3 12.9432 5.35149 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -221.3 12.9432 5.35149 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.375 12.9432 5.35149 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 -175.821 12.9432 5.35149 0.55 protocols.relax.FastRelax: {0} CMD: min -205.007 12.7803 4.93281 0.55 protocols.relax.FastRelax: {0} MRP: 1 -205.007 -205.007 12.7803 4.93281 protocols.relax.FastRelax: {0} CMD: accept_to_best -205.007 12.7803 4.93281 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -205.007 12.7803 4.93281 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.007 12.7803 4.93281 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -277.541 12.7803 4.93281 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 -281.758 12.7803 4.93281 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -279.073 12.7803 4.93281 0.02805 protocols.relax.FastRelax: {0} CMD: min -336.456 12.3825 5.45872 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -336.456 12.3825 5.45872 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.621 12.3825 5.45872 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2936 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.719 12.3825 5.45872 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -207.333 12.3825 5.45872 0.154 protocols.relax.FastRelax: {0} CMD: min -267.851 12.4515 5.32153 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -267.851 12.4515 5.32153 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -217.853 12.4515 5.32153 0.30745 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 -220.59 12.4515 5.32153 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -216.746 12.4515 5.32153 0.31955 protocols.relax.FastRelax: {0} CMD: min -228.954 12.5656 5.24925 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -228.954 12.5656 5.24925 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.31 12.5656 5.24925 0.55 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 -180.335 12.5656 5.24925 0.55 protocols.relax.FastRelax: {0} CMD: min -213.877 12.6286 5.12478 0.55 protocols.relax.FastRelax: {0} MRP: 2 -213.877 -213.877 12.6286 5.12478 protocols.relax.FastRelax: {0} CMD: accept_to_best -213.877 12.6286 5.12478 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -213.877 12.6286 5.12478 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.877 12.6286 5.12478 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -286.899 12.6286 5.12478 0.022 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 -296.128 12.6286 5.12478 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -293.082 12.6286 5.12478 0.02805 protocols.relax.FastRelax: {0} CMD: min -341.515 12.2671 5.42612 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -341.515 12.2671 5.42612 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -199.481 12.2671 5.42612 0.14575 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 -235.95 12.2671 5.42612 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.582 12.2671 5.42612 0.154 protocols.relax.FastRelax: {0} CMD: min -271.513 12.369 5.26399 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -271.513 12.369 5.26399 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.748 12.369 5.26399 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 -218.645 12.369 5.26399 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.653 12.369 5.26399 0.31955 protocols.relax.FastRelax: {0} CMD: min -231.006 12.4465 5.13734 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -231.006 12.4465 5.13734 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -180.135 12.4465 5.13734 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 -180.654 12.4465 5.13734 0.55 protocols.relax.FastRelax: {0} CMD: min -213.067 12.4064 5.12824 0.55 protocols.relax.FastRelax: {0} MRP: 3 -213.067 -213.877 12.6286 5.12478 protocols.relax.FastRelax: {0} CMD: accept_to_best -213.067 12.4064 5.12824 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -213.067 12.4064 5.12824 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -213.067 12.4064 5.12824 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -289.15 12.4064 5.12824 0.022 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 -299.816 12.4064 5.12824 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -297.328 12.4064 5.12824 0.02805 protocols.relax.FastRelax: {0} CMD: min -352.594 12.1814 5.37591 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -352.594 12.1814 5.37591 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -206.946 12.1814 5.37591 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3054 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -236.742 12.1814 5.37591 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.15 12.1814 5.37591 0.154 protocols.relax.FastRelax: {0} CMD: min -284.571 12.3366 5.22853 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -284.571 12.3366 5.22853 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.364 12.3366 5.22853 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 -230.762 12.3366 5.22853 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -226.523 12.3366 5.22853 0.31955 protocols.relax.FastRelax: {0} CMD: min -243.186 12.3832 5.15458 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -243.186 12.3832 5.15458 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -193.968 12.3832 5.15458 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 -194.372 12.3832 5.15458 0.55 protocols.relax.FastRelax: {0} CMD: min -216.098 12.2947 5.27215 0.55 protocols.relax.FastRelax: {0} MRP: 4 -216.098 -216.098 12.2947 5.27215 protocols.relax.FastRelax: {0} CMD: accept_to_best -216.098 12.2947 5.27215 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -216.098 12.2947 5.27215 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_32.pdb protocols.relax.FastRelax: {0} CMD: repeat 68324.3 20.6672 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 68324.3 20.6672 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 7024.95 20.6672 0 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3281 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack 165.153 20.6672 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 187.64 20.6672 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -235.324 18.9946 4.46959 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -235.324 18.9946 4.46959 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -124.845 18.9946 4.46959 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 -147.307 18.9946 4.46959 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -140.875 18.9946 4.46959 0.154 protocols.relax.FastRelax: {0} CMD: min -205.578 19.2658 4.35587 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -205.578 19.2658 4.35587 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.979 19.2658 4.35587 0.30745 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 -167.242 19.2658 4.35587 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -164.081 19.2658 4.35587 0.31955 protocols.relax.FastRelax: {0} CMD: min -170.088 19.3694 4.28323 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -170.088 19.3694 4.28323 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -120.852 19.3694 4.28323 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2627 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -121.056 19.3694 4.28323 0.55 protocols.relax.FastRelax: {0} CMD: min -169.051 19.4565 4.15208 0.55 protocols.relax.FastRelax: {0} MRP: 0 -169.051 -169.051 19.4565 4.15208 protocols.relax.FastRelax: {0} CMD: accept_to_best -169.051 19.4565 4.15208 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -169.051 19.4565 4.15208 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -169.051 19.4565 4.15208 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -230.022 19.4565 4.15208 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 -237.107 19.4565 4.15208 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -234.623 19.4565 4.15208 0.02805 protocols.relax.FastRelax: {0} CMD: min -278.969 19.1485 4.24815 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -278.969 19.1485 4.24815 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -171.604 19.1485 4.24815 0.14575 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 -190.629 19.1485 4.24815 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -185.195 19.1485 4.24815 0.154 protocols.relax.FastRelax: {0} CMD: min -222.954 19.3039 4.18473 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -222.954 19.3039 4.18473 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -182.188 19.3039 4.18473 0.30745 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 -182.647 19.3039 4.18473 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -179.532 19.3039 4.18473 0.31955 protocols.relax.FastRelax: {0} CMD: min -193.162 19.4236 3.91077 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -193.162 19.4236 3.91077 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -151.951 19.4236 3.91077 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 -152.282 19.4236 3.91077 0.55 protocols.relax.FastRelax: {0} CMD: min -180.381 19.8475 3.83995 0.55 protocols.relax.FastRelax: {0} MRP: 1 -180.381 -180.381 19.8475 3.83995 protocols.relax.FastRelax: {0} CMD: accept_to_best -180.381 19.8475 3.83995 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -180.381 19.8475 3.83995 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -180.381 19.8475 3.83995 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -241.944 19.8475 3.83995 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3311 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -251.123 19.8475 3.83995 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.865 19.8475 3.83995 0.02805 protocols.relax.FastRelax: {0} CMD: min -302.006 19.4668 3.88727 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.006 19.4668 3.88727 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -183.562 19.4668 3.88727 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3529 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -194.176 19.4668 3.88727 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -187.298 19.4668 3.88727 0.154 protocols.relax.FastRelax: {0} CMD: min -241.468 19.6592 3.88479 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.468 19.6592 3.88479 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -198.288 19.6592 3.88479 0.30745 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 -199.684 19.6592 3.88479 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.362 19.6592 3.88479 0.31955 protocols.relax.FastRelax: {0} CMD: min -207.785 19.7949 3.84411 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -207.785 19.7949 3.84411 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.403 19.7949 3.84411 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2958 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -165.715 19.7949 3.84411 0.55 protocols.relax.FastRelax: {0} CMD: min -186.367 19.7694 4.049 0.55 protocols.relax.FastRelax: {0} MRP: 2 -186.367 -186.367 19.7694 4.049 protocols.relax.FastRelax: {0} CMD: accept_to_best -186.367 19.7694 4.049 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -186.367 19.7694 4.049 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -186.367 19.7694 4.049 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.627 19.7694 4.049 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3252 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -258.064 19.7694 4.049 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -255.642 19.7694 4.049 0.02805 protocols.relax.FastRelax: {0} CMD: min -302.763 19.4143 4.15441 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -302.763 19.4143 4.15441 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.39 19.4143 4.15441 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3517 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -197.607 19.4143 4.15441 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -190.723 19.4143 4.15441 0.154 protocols.relax.FastRelax: {0} CMD: min -248.953 19.5408 4.15406 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -248.953 19.5408 4.15406 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.641 19.5408 4.15406 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3032 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -205.431 19.5408 4.15406 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.029 19.5408 4.15406 0.31955 protocols.relax.FastRelax: {0} CMD: min -212.409 19.672 4.11506 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -212.409 19.672 4.11506 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -169.491 19.672 4.11506 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2904 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -170.011 19.672 4.11506 0.55 protocols.relax.FastRelax: {0} CMD: min -189.323 19.7269 4.03699 0.55 protocols.relax.FastRelax: {0} MRP: 3 -189.323 -189.323 19.7269 4.03699 protocols.relax.FastRelax: {0} CMD: accept_to_best -189.323 19.7269 4.03699 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -189.323 19.7269 4.03699 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -189.323 19.7269 4.03699 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -253.431 19.7269 4.03699 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3259 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -260.192 19.7269 4.03699 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -258.913 19.7269 4.03699 0.02805 protocols.relax.FastRelax: {0} CMD: min -305.67 19.4504 4.14056 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -305.67 19.4504 4.14056 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -194.346 19.4504 4.14056 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3635 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.707 19.4504 4.14056 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -208.892 19.4504 4.14056 0.154 protocols.relax.FastRelax: {0} CMD: min -249.668 19.5216 4.12446 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -249.668 19.5216 4.12446 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -205.163 19.5216 4.12446 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3086 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -205.904 19.5216 4.12446 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -202.442 19.5216 4.12446 0.31955 protocols.relax.FastRelax: {0} CMD: min -215.462 19.6537 4.05836 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -215.462 19.6537 4.05836 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -174.261 19.6537 4.05836 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2977 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -174.484 19.6537 4.05836 0.55 protocols.relax.FastRelax: {0} CMD: min -189.803 19.7602 4.05611 0.55 protocols.relax.FastRelax: {0} MRP: 4 -189.803 -189.803 19.7602 4.05611 protocols.relax.FastRelax: {0} CMD: accept_to_best -189.803 19.7602 4.05611 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -189.803 19.7602 4.05611 0.55 protocols::checkpoint: {0} Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_6.pdb protocols.relax.FastRelax: {0} CMD: repeat 71522.3 12.5232 0 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight 71522.3 12.5232 0 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep 6851.49 12.5232 0 0.022 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 -86.8724 12.5232 0 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -50.1323 12.5232 0 0.02805 protocols.relax.FastRelax: {0} CMD: min -303.789 12.6968 2.89161 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -303.789 12.6968 2.89161 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -130.189 12.6968 2.89161 0.14575 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 -161.392 12.6968 2.89161 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -152.087 12.6968 2.89161 0.154 protocols.relax.FastRelax: {0} CMD: min -236.134 12.7472 2.53446 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -236.134 12.7472 2.53446 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -178.996 12.7472 2.53446 0.30745 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 -179.971 12.7472 2.53446 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -175.58 12.7472 2.53446 0.31955 protocols.relax.FastRelax: {0} CMD: min -206.673 12.6021 2.49605 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -206.673 12.6021 2.49605 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -159.524 12.6021 2.49605 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2951 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -159.918 12.6021 2.49605 0.55 protocols.relax.FastRelax: {0} CMD: min -208.683 12.6402 2.76013 0.55 protocols.relax.FastRelax: {0} MRP: 0 -208.683 -208.683 12.6402 2.76013 protocols.relax.FastRelax: {0} CMD: accept_to_best -208.683 12.6402 2.76013 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -208.683 12.6402 2.76013 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -208.683 12.6402 2.76013 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -281.236 12.6402 2.76013 0.022 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 -300.979 12.6402 2.76013 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -296.399 12.6402 2.76013 0.02805 protocols.relax.FastRelax: {0} CMD: min -334.686 12.4514 2.72608 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -334.686 12.4514 2.72608 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -165.389 12.4514 2.72608 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3118 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -211.884 12.4514 2.72608 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -204.317 12.4514 2.72608 0.154 protocols.relax.FastRelax: {0} CMD: min -274.464 12.5848 2.71963 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -274.464 12.5848 2.71963 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -228.597 12.5848 2.71963 0.30745 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 -232.575 12.5848 2.71963 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -229.108 12.5848 2.71963 0.31955 protocols.relax.FastRelax: {0} CMD: min -241.239 12.6081 2.66602 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -241.239 12.6081 2.66602 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -196.503 12.6081 2.66602 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2857 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -196.616 12.6081 2.66602 0.55 protocols.relax.FastRelax: {0} CMD: min -227.673 12.58 2.89442 0.55 protocols.relax.FastRelax: {0} MRP: 1 -227.673 -227.673 12.58 2.89442 protocols.relax.FastRelax: {0} CMD: accept_to_best -227.673 12.58 2.89442 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -227.673 12.58 2.89442 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -227.673 12.58 2.89442 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -299.022 12.58 2.89442 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3281 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -307.23 12.58 2.89442 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -305.017 12.58 2.89442 0.02805 protocols.relax.FastRelax: {0} CMD: min -355.063 12.47 2.83762 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -355.063 12.47 2.83762 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -222.271 12.47 2.83762 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3286 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -240.969 12.47 2.83762 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -233.852 12.47 2.83762 0.154 protocols.relax.FastRelax: {0} CMD: min -290.556 12.6168 2.87857 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -290.556 12.6168 2.87857 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -246.531 12.6168 2.87857 0.30745 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3042 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -246.254 12.6168 2.87857 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -242.911 12.6168 2.87857 0.31955 protocols.relax.FastRelax: {0} CMD: min -255.347 12.5729 2.82953 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -255.347 12.5729 2.82953 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.013 12.5729 2.82953 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 -213.079 12.5729 2.82953 0.55 protocols.relax.FastRelax: {0} CMD: min -229.765 12.4437 2.89013 0.55 protocols.relax.FastRelax: {0} MRP: 2 -229.765 -229.765 12.4437 2.89013 protocols.relax.FastRelax: {0} CMD: accept_to_best -229.765 12.4437 2.89013 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -229.765 12.4437 2.89013 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -229.765 12.4437 2.89013 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -300.487 12.4437 2.89013 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3293 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -310.07 12.4437 2.89013 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -307.418 12.4437 2.89013 0.02805 protocols.relax.FastRelax: {0} CMD: min -351.944 12.4468 2.72866 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -351.944 12.4468 2.72866 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -218.344 12.4468 2.72866 0.14575 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 -251.779 12.4468 2.72866 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.49 12.4468 2.72866 0.154 protocols.relax.FastRelax: {0} CMD: min -292.733 12.4815 2.72168 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -292.733 12.4815 2.72168 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -248.589 12.4815 2.72168 0.30745 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 -248.962 12.4815 2.72168 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -245.521 12.4815 2.72168 0.31955 protocols.relax.FastRelax: {0} CMD: min -257.57 12.4457 2.72833 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -257.57 12.4457 2.72833 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -213.317 12.4457 2.72833 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2813 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -213.4 12.4457 2.72833 0.55 protocols.relax.FastRelax: {0} CMD: min -230.114 12.4413 2.88796 0.55 protocols.relax.FastRelax: {0} MRP: 3 -230.114 -230.114 12.4413 2.88796 protocols.relax.FastRelax: {0} CMD: accept_to_best -230.114 12.4413 2.88796 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -230.114 12.4413 2.88796 0.55 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -230.114 12.4413 2.88796 0.55 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -301.37 12.4413 2.88796 0.022 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3298 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -311.105 12.4413 2.88796 0.022 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -308.509 12.4413 2.88796 0.02805 protocols.relax.FastRelax: {0} CMD: min -350.093 12.4908 2.93367 0.02805 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -350.093 12.4908 2.93367 0.02805 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -225.359 12.4908 2.93367 0.14575 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 3077 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -258.229 12.4908 2.93367 0.14575 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -252.545 12.4908 2.93367 0.154 protocols.relax.FastRelax: {0} CMD: min -295.676 12.4853 2.80897 0.154 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -295.676 12.4853 2.80897 0.154 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -251.709 12.4853 2.80897 0.30745 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 -253.114 12.4853 2.80897 0.30745 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -249.709 12.4853 2.80897 0.31955 protocols.relax.FastRelax: {0} CMD: min -259.891 12.4941 2.89314 0.31955 protocols.relax.FastRelax: {0} CMD: coord_cst_weight -259.891 12.4941 2.89314 0.31955 protocols.relax.FastRelax: {0} CMD: scale:fa_rep -214.531 12.4941 2.89314 0.55 core.pack.task: {0} Packer task: initialize from command line() core.pack.pack_rotamers: {0} built 2855 rotamers at 116 positions. core.pack.pack_rotamers: {0} Requesting all available threads for interaction graph computation. core.pack.interaction_graph.interaction_graph_factory: {0} Instantiating DensePDInteractionGraph core.pack.rotamer_set.RotamerSets: {0} Completed interaction graph pre-calculation in 8 available threads (8 had been requested). protocols.relax.FastRelax: {0} CMD: repack -214.713 12.4941 2.89314 0.55 protocols.relax.FastRelax: {0} CMD: min -232.551 12.4352 2.9043 0.55 protocols.relax.FastRelax: {0} MRP: 4 -232.551 -232.551 12.4352 2.9043 protocols.relax.FastRelax: {0} CMD: accept_to_best -232.551 12.4352 2.9043 0.55 protocols.relax.FastRelax: {0} CMD: endrepeat -232.551 12.4352 2.9043 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_0.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_10.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_12.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_14.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_16.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_18.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_2.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_21.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_23.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_25.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_27.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_29.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_30.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_32.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_34.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_36.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_38.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_4.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_41.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_43.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_45.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_47.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_49.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_6.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_8.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
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 12.9009015) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.4987369) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.3567333) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.6047392) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.1147466) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.3806944) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.2380818) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.8286593) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.8926384) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 19.3189983) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 18.2100391) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.1076267) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.1192950) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.4400439) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.4455337) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.3885305) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.7695996) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 7.1083967) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.5875410) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 9.0459136) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.1855458) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.7896746) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.8397376) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.8243025) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.5917909) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 9.9678502) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.5860146) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.2346184) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.0207556) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.2591144) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.2571634) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 17.1045510) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 9.7389675) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.4505402) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.2733449) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.9400718) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.5102476) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.1287605) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.5429207) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.6825368) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 8.3257396) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.5407520) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.7973567) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.1284100) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 19.3708676) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.3693016) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 9.6631569) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.6824030) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.6983023) protocols.stepwise.modeler.align.StepWisePoseAligner: {0} RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.4188914)
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 | |
---|---|---|---|
16 | -197.959971 | 7.108397 | outputs/1BL0/decoy_24.pdb |
39 | -228.372367 | 8.325740 | outputs/1BL0/decoy_45.pdb |
18 | -234.621740 | 9.045914 | outputs/1BL0/decoy_26.pdb |
45 | -205.997357 | 9.663157 | outputs/1BL0/decoy_6.pdb |
31 | -233.858734 | 9.738967 | outputs/1BL0/decoy_38.pdb |
24 | -231.389186 | 9.967850 | outputs/1BL0/decoy_31.pdb |
40 | -204.955972 | 10.540752 | outputs/1BL0/decoy_46.pdb |
37 | -244.057888 | 10.542921 | outputs/1BL0/decoy_43.pdb |
46 | -231.572555 | 10.682403 | outputs/1BL0/decoy_7.pdb |
36 | -239.516895 | 11.128760 | outputs/1BL0/decoy_42.pdb |
23 | -231.777327 | 11.591791 | outputs/1BL0/decoy_30.pdb |
2 | -259.659288 | 11.604739 | outputs/1BL0/decoy_11.pdb |
41 | -223.293790 | 11.797357 | outputs/1BL0/decoy_47.pdb |
21 | -253.411118 | 11.839738 | outputs/1BL0/decoy_29.pdb |
10 | -191.643084 | 12.107627 | outputs/1BL0/decoy_19.pdb |
28 | -227.329056 | 12.259114 | outputs/1BL0/decoy_35.pdb |
13 | -204.359433 | 12.445534 | outputs/1BL0/decoy_21.pdb |
0 | -207.978678 | 12.498737 | outputs/1BL0/decoy_1.pdb |
35 | -201.831105 | 12.510248 | outputs/1BL0/decoy_41.pdb |
7 | -212.311276 | 12.892638 | outputs/1BL0/decoy_16.pdb |
42 | -213.529761 | 13.128410 | outputs/1BL0/decoy_48.pdb |
5 | -239.452001 | 13.238082 | outputs/1BL0/decoy_14.pdb |
44 | -196.657864 | 13.369302 | outputs/1BL0/decoy_5.pdb |
4 | -195.165055 | 13.380694 | outputs/1BL0/decoy_13.pdb |
14 | -218.840428 | 13.388531 | outputs/1BL0/decoy_22.pdb |
48 | -189.803202 | 13.418891 | outputs/1BL0/decoy_9.pdb |
17 | -201.646003 | 13.587541 | outputs/1BL0/decoy_25.pdb |
34 | -244.721162 | 13.940072 | outputs/1BL0/decoy_40.pdb |
19 | -243.780022 | 14.185546 | outputs/1BL0/decoy_27.pdb |
26 | -194.706906 | 14.234618 | outputs/1BL0/decoy_33.pdb |
33 | -231.490636 | 14.273345 | outputs/1BL0/decoy_4.pdb |
12 | -224.851910 | 14.440044 | outputs/1BL0/decoy_20.pdb |
32 | -206.976630 | 14.450540 | outputs/1BL0/decoy_39.pdb |
47 | -216.097802 | 14.698302 | outputs/1BL0/decoy_8.pdb |
15 | -237.380327 | 14.769600 | outputs/1BL0/decoy_23.pdb |
20 | -227.103617 | 14.789675 | outputs/1BL0/decoy_28.pdb |
22 | -224.993621 | 14.824303 | outputs/1BL0/decoy_3.pdb |
6 | -234.017388 | 14.828659 | outputs/1BL0/decoy_15.pdb |
3 | -170.188546 | 15.114747 | outputs/1BL0/decoy_12.pdb |
11 | -238.737652 | 15.119295 | outputs/1BL0/decoy_2.pdb |
29 | -251.014512 | 15.257163 | outputs/1BL0/decoy_36.pdb |
1 | -207.680267 | 15.356733 | outputs/1BL0/decoy_10.pdb |
38 | -222.745825 | 15.682537 | outputs/1BL0/decoy_44.pdb |
27 | -213.020400 | 16.020756 | outputs/1BL0/decoy_34.pdb |
25 | -239.552129 | 16.586015 | outputs/1BL0/decoy_32.pdb |
30 | -194.486243 | 17.104551 | outputs/1BL0/decoy_37.pdb |
9 | -222.297438 | 18.210039 | outputs/1BL0/decoy_18.pdb |
8 | -250.200669 | 19.318998 | outputs/1BL0/decoy_17.pdb |
43 | -221.472382 | 19.370868 | outputs/1BL0/decoy_49.pdb |
plt.plot(rmsd_df.energy_score, rmsd_df.rmsd, 'o', color='black');
plt.xlabel("energy_score")
plt.ylabel("rmsd")
Text(0, 0.5, 'rmsd')
If I have understood right, being closer to the native one would mean a rmsd close to 1.
Regardless, the lower energy score ones DO NOT seem any closer to 1
and so are not closer to the native one.