In [1]:
import sys
sys.path.append("/home/ec2-user/PyRosetta4.Release.python37.linux.release-247")
import pyrosetta
pyrosetta.init()
PyRosetta-4 2020 [Rosetta PyRosetta4.Release.python37.linux 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: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: PyRosetta4.Release.python37.linux r247 2020.08+release.cb1caba cb1cabafd7463ab703f6abf5efa33d2707b85924 http://www.pyrosetta.org 2020-02-20T07:29:09 core.init: command: PyRosetta -ex1 -ex2aro -database /home/ec2-user/PyRosetta4.Release.python37.linux.release-247/pyrosetta/database basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=-541639464 seed_offset=0 real_seed=-541639464 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-541639464 RG_type=mt19937
Protein Folding with Pyrosetta¶
In this tutorial, we will fold a protein structure using a very simple algorithm in PyRosetta, and compare the folded structure with the solved crystal structure of the protein.
Importing relevant libraries¶
We begin by importing the relevant libraries from Python. If running the following cell produces any errors or warnings, make sure you have followed all the steps in the "Setting up Pyrosetta" section.
In [2]:
!pip install pandas
!pip install nglview
import os
import glob
import shutil
import pandas as pd
import nglview as ngl
import pyrosetta as prs
prs.init()
from pyrosetta import rosetta
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PyRosetta-4 2020 [Rosetta PyRosetta4.Release.python37.linux 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: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: PyRosetta4.Release.python37.linux r247 2020.08+release.cb1caba cb1cabafd7463ab703f6abf5efa33d2707b85924 http://www.pyrosetta.org 2020-02-20T07:29:09 core.init: command: PyRosetta -ex1 -ex2aro -database /home/ec2-user/PyRosetta4.Release.python37.linux.release-247/pyrosetta/database basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=931761419 seed_offset=0 real_seed=931761419 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=931761419 RG_type=mt19937
Setting up score functions that will be used across parts¶
In [3]:
scorefxn_low = prs.create_score_function('score3')
scorefxn_high = prs.get_fa_scorefxn()
basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.HS.resmooth basic.io.database: Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.SS.resmooth core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 980 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 1.3 seconds. basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop
Loading the native (solved crystal) structure¶
In [4]:
native_pose = prs.pose_from_sequence('ALVAVICENTEVLACQVECALVAVICENTEVLACQVECALVAVICENTEVLACQVEC')
We can check the amino acid sequence of the structure with a very simple command.
In [5]:
native_pose.sequence()
Out[5]:
'ALVAVICENTEVLACQVECALVAVICENTEVLACQVECALVAVICENTEVLACQVEC'
We can also assign the correct secondary structure.
In [6]:
DSSP = prs.rosetta.protocols.moves.DsspMover()
DSSP.apply(native_pose) # populates the pose's Pose.secstruct
protocols.DsspMover: LLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLL
Hint: The amino acids are also called residues!¶
Let's view more information about the first residue of the protein.
In [7]:
print(native_pose.residue(1))
Residue 1: ALA:NtermProteinFull (ALA, A): Base: ALA Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS ALIPHATIC 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 1HB 2HB 3HB Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, 0 CB : 1.9878, -0.772763, -1.19909 1H : -0.333807, -0.942641, -1.1544e-16 2H : -0.333807, 0.471321, 0.816351 3H : -0.333807, 0.471321, -0.816351 HA : 1.79666, -0.489627, 0.91315 1HB : 3.07772, -0.76375, -1.18511 2HB : 1.63286, -1.80244, -1.15412 3HB : 1.63327, -0.30698, -2.11716 Mirrored relative to coordinates in ResidueType: FALSE
In [8]:
pose = prs.pose_from_sequence(native_pose.sequence())
test_pose = prs.Pose()
test_pose.assign(pose)
test_pose.pdb_info().name('Linearized Pose')
In [9]:
view = ngl.show_rosetta(test_pose)
view.add_ball_and_stick()
view # zoom in to see the atoms!
Defining movers to switch from full-atom to centroid representation¶
We will be using the centroid representation to perform rough and fast scoring in the initial stages of the folding algorithm. Later on, we will switch to the full atom represenation to do accurate minimization and get the final structures.
In [10]:
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_full_atom = prs.SwitchResidueTypeSetMover('fa_standard')
In [11]:
to_full_atom.apply(test_pose)
print('Full Atom Score:', scorefxn_high(test_pose))
to_centroid.apply(test_pose)
print('Centroid Score:', scorefxn_low(test_pose))
core.util.switchresiduetypeset: [ WARNING ] When switching to a fa_standard ResidueTypeSet: Pose already contains fa_standard ResidueTypes. basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat core.scoring.elec.util: Read 40 countpair representative atoms core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true. core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated. core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /home/ec2-user/PyRosetta4.Release.python37.linux.release-247/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/home/ec2-user/PyRosetta4.Release.python37.linux.release-247/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.15 seconds to load from binary Full Atom Score: 12877.633998640653 core.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 62 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.03 seconds. Centroid Score: 276.5922943746622
Q: Visualize the centroid-only structure and see the difference with the full atom that we visualized above? Print again the information for the first residue and compare.¶
In [12]:
# 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(test_pose.residue(1))
print('Centroid Score:', scorefxn_low(test_pose))
view = ngl.show_rosetta(test_pose)
view # zoom in to see the atoms!
core.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes. Residue 1: ALA:NtermProteinFull (ALA, A): Base: ALA Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS ALIPHATIC ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O H Side-chain atoms: CB CEN Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, 0 CB : 1.9878, -0.777544, -1.196 CEN: 1.98784, -0.776659, -1.19534 H : -0.5, -0.433013, -0.75 Mirrored relative to coordinates in ResidueType: FALSE Centroid Score: 276.5922943746622
Setting up the folding algorithm¶
In [13]:
# Loading the files with the pre-computed fragmets
long_frag_filename = 'data/random/sequence2/aat000_09_05.200_v1_3.txt'
long_frag_length = 9
short_frag_filename = 'data/random/sequence2/aat000_03_05.200_v1_3.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/belenprotein2/decoy' # The prefix of the filenames to store the results
Loading the fragmets¶
In [14]:
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: finished reading top 200 9mer fragments from file data/random/sequence2/aat000_09_05.200_v1_3.txt core.fragments.ConstantLengthFragSet: finished reading top 200 3mer fragments from file data/random/sequence2/aat000_03_05.200_v1_3.txt
Q: How many 9-mer and 3-mer fragments do we have in our database?¶
TBD
Setting up the MonteCarlo search¶
In [15]:
# Making sure the structure is in centroid-only mode for the search
test_pose.assign(pose)
to_centroid.apply(test_pose)
In [16]:
# Defining what sequence of actions to do between each scoring step
folding_mover = prs.SequenceMover()
folding_mover.add_mover(insert_long_frag)
folding_mover.add_mover(insert_short_frag)
In [17]:
mc = prs.MonteCarlo(test_pose, scorefxn_low, kT)
trial = prs.TrialMover(folding_mover, mc)
In [18]:
# Setting up how many cycles of search to do in each trajectory
folding = prs.RepeatMover(trial, cycles)
Setting up the relax mover for the final stage¶
In [19]:
fast_relax_mover = prs.rosetta.protocols.relax.FastRelax(scorefxn_high)
protocols.relax.RelaxScriptManager: Reading relax scripts list from database. protocols.relax.RelaxScriptManager: Looking for MonomerRelax2019.txt protocols.relax.RelaxScriptManager: ================== Reading script file: /home/ec2-user/PyRosetta4.Release.python37.linux.release-247/pyrosetta/database/sampling/relax_scripts/MonomerRelax2019.txt ================== protocols.relax.RelaxScriptManager: repeat %%nrepeats%% protocols.relax.RelaxScriptManager: coord_cst_weight 1.0 protocols.relax.RelaxScriptManager: scale:fa_rep 0.040 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: scale:fa_rep 0.051 protocols.relax.RelaxScriptManager: min 0.01 protocols.relax.RelaxScriptManager: coord_cst_weight 0.5 protocols.relax.RelaxScriptManager: scale:fa_rep 0.265 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: scale:fa_rep 0.280 protocols.relax.RelaxScriptManager: min 0.01 protocols.relax.RelaxScriptManager: coord_cst_weight 0.0 protocols.relax.RelaxScriptManager: scale:fa_rep 0.559 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: scale:fa_rep 0.581 protocols.relax.RelaxScriptManager: min 0.01 protocols.relax.RelaxScriptManager: coord_cst_weight 0.0 protocols.relax.RelaxScriptManager: scale:fa_rep 1 protocols.relax.RelaxScriptManager: repack protocols.relax.RelaxScriptManager: min 0.00001 protocols.relax.RelaxScriptManager: accept_to_best protocols.relax.RelaxScriptManager: endrepeat
Running the folding algorithm!¶
In [20]:
scores = [0] * (jobs + 1)
scores[0] = scorefxn_low(test_pose)
In [21]:
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/belenprotein2/decoy_15.pdb
In [22]:
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: CMD: repeat 8766.95 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8766.95 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1759.68 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 598 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 49.3043 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 58.2897 0 0 0.02805 protocols.relax.FastRelax: CMD: min -54.8537 3.57854 3.57854 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.8537 3.57854 3.57854 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 26.9481 3.57854 3.57854 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 671 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.6242 3.57854 3.57854 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.4624 3.57854 3.57854 0.154 protocols.relax.FastRelax: CMD: min -43.4155 3.68014 3.68014 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4155 3.68014 3.68014 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7726 3.68014 3.68014 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 669 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.8723 3.68014 3.68014 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.5598 3.68014 3.68014 0.31955 protocols.relax.FastRelax: CMD: min -26.3231 3.65067 3.65067 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.3231 3.65067 3.65067 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.46434 3.65067 3.65067 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 604 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.58427 3.65067 3.65067 0.55 protocols.relax.FastRelax: CMD: min -37.5524 4.03638 4.03638 0.55 protocols.relax.FastRelax: MRP: 0 -37.5524 -37.5524 4.03638 4.03638 protocols.relax.FastRelax: CMD: accept_to_best -37.5524 4.03638 4.03638 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.5524 4.03638 4.03638 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.5524 4.03638 4.03638 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9931 4.03638 4.03638 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 629 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.9386 4.03638 4.03638 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9649 4.03638 4.03638 0.02805 protocols.relax.FastRelax: CMD: min -89.8099 4.18601 4.18601 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.8099 4.18601 4.18601 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.6267 4.18601 4.18601 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 660 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.833 4.18601 4.18601 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.2434 4.18601 4.18601 0.154 protocols.relax.FastRelax: CMD: min -70.5707 4.15612 4.15612 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.5707 4.15612 4.15612 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5233 4.15612 4.15612 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 569 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5311 4.15612 4.15612 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.2663 4.15612 4.15612 0.31955 protocols.relax.FastRelax: CMD: min -55.9638 4.13962 4.13962 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9638 4.13962 4.13962 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5312 4.13962 4.13962 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5489 4.13962 4.13962 0.55 protocols.relax.FastRelax: CMD: min -51.2963 4.21379 4.21379 0.55 protocols.relax.FastRelax: MRP: 1 -51.2963 -51.2963 4.21379 4.21379 protocols.relax.FastRelax: CMD: accept_to_best -51.2963 4.21379 4.21379 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.2963 4.21379 4.21379 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.2963 4.21379 4.21379 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.4865 4.21379 4.21379 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 710 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.5469 4.21379 4.21379 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1889 4.21379 4.21379 0.02805 protocols.relax.FastRelax: CMD: min -94.7272 4.37739 4.37739 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7272 4.37739 4.37739 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7969 4.37739 4.37739 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.7581 4.37739 4.37739 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8931 4.37739 4.37739 0.154 protocols.relax.FastRelax: CMD: min -74.9499 4.24074 4.24074 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9499 4.24074 4.24074 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.8095 4.24074 4.24074 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.9604 4.24074 4.24074 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7246 4.24074 4.24074 0.31955 protocols.relax.FastRelax: CMD: min -63.7401 4.20718 4.20718 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7401 4.20718 4.20718 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.322 4.20718 4.20718 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.326 4.20718 4.20718 0.55 protocols.relax.FastRelax: CMD: min -52.2324 4.14639 4.14639 0.55 protocols.relax.FastRelax: MRP: 2 -52.2324 -52.2324 4.14639 4.14639 protocols.relax.FastRelax: CMD: accept_to_best -52.2324 4.14639 4.14639 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2324 4.14639 4.14639 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2324 4.14639 4.14639 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3438 4.14639 4.14639 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 704 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.2577 4.14639 4.14639 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9341 4.14639 4.14639 0.02805 protocols.relax.FastRelax: CMD: min -94.9091 4.27883 4.27883 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9091 4.27883 4.27883 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7771 4.27883 4.27883 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 630 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5233 4.27883 4.27883 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.4892 4.27883 4.27883 0.154 protocols.relax.FastRelax: CMD: min -76.938 4.195 4.195 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.938 4.195 4.195 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.341 4.195 4.195 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 617 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.3692 4.195 4.195 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2258 4.195 4.195 0.31955 protocols.relax.FastRelax: CMD: min -63.9092 4.1666 4.1666 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.9092 4.1666 4.1666 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9714 4.1666 4.1666 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 614 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.9799 4.1666 4.1666 0.55 protocols.relax.FastRelax: CMD: min -52.2689 4.14853 4.14853 0.55 protocols.relax.FastRelax: MRP: 3 -52.2689 -52.2689 4.14853 4.14853 protocols.relax.FastRelax: CMD: accept_to_best -52.2689 4.14853 4.14853 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2689 4.14853 4.14853 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2689 4.14853 4.14853 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.4145 4.14853 4.14853 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 704 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.274 4.14853 4.14853 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9504 4.14853 4.14853 0.02805 protocols.relax.FastRelax: CMD: min -88.5078 4.25779 4.25779 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.5078 4.25779 4.25779 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6198 4.25779 4.25779 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.0083 4.25779 4.25779 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8864 4.25779 4.25779 0.154 protocols.relax.FastRelax: CMD: min -76.0858 4.21235 4.21235 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.0858 4.21235 4.21235 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7336 4.21235 4.21235 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 619 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.7578 4.21235 4.21235 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6238 4.21235 4.21235 0.31955 protocols.relax.FastRelax: CMD: min -63.6718 4.16181 4.16181 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.6718 4.16181 4.16181 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9644 4.16181 4.16181 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 615 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.9677 4.16181 4.16181 0.55 protocols.relax.FastRelax: CMD: min -52.2756 4.14606 4.14606 0.55 protocols.relax.FastRelax: MRP: 4 -52.2756 -52.2756 4.14606 4.14606 protocols.relax.FastRelax: CMD: accept_to_best -52.2756 4.14606 4.14606 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2756 4.14606 4.14606 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_49.pdb protocols.relax.FastRelax: CMD: repeat 8580.23 12.0501 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8580.23 12.0501 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1882.64 12.0501 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 590 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 16.1438 12.0501 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 19.0526 12.0501 0 0.02805 protocols.relax.FastRelax: CMD: min 18.9053 12.0472 0.0106935 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 18.9053 12.0472 0.0106935 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 75.1642 12.0472 0.0106935 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 571 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 68.8361 12.0472 0.0106935 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 72.2876 12.0472 0.0106935 0.154 protocols.relax.FastRelax: CMD: min -46.2784 10.9802 3.35305 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.2784 10.9802 3.35305 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3511 10.9802 3.35305 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 808 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.6599 10.9802 3.35305 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.7483 10.9802 3.35305 0.31955 protocols.relax.FastRelax: CMD: min -34.098 10.9779 3.34902 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.098 10.9779 3.34902 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2433 10.9779 3.34902 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 777 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.4241 10.9779 3.34902 0.55 protocols.relax.FastRelax: CMD: min -36.7748 11.0919 4.33785 0.55 protocols.relax.FastRelax: MRP: 0 -36.7748 -36.7748 11.0919 4.33785 protocols.relax.FastRelax: CMD: accept_to_best -36.7748 11.0919 4.33785 0.55 protocols.relax.FastRelax: CMD: endrepeat -36.7748 11.0919 4.33785 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -36.7748 11.0919 4.33785 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0337 11.0919 4.33785 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 785 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.2776 11.0919 4.33785 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7401 11.0919 4.33785 0.02805 protocols.relax.FastRelax: CMD: min -78.5624 10.7318 4.95622 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -78.5624 10.7318 4.95622 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8002 10.7318 4.95622 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 713 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.4952 10.7318 4.95622 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.6091 10.7318 4.95622 0.154 protocols.relax.FastRelax: CMD: min -62.3036 10.7085 5.01374 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.3036 10.7085 5.01374 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.4083 10.7085 5.01374 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 730 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4675 10.7085 5.01374 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2972 10.7085 5.01374 0.31955 protocols.relax.FastRelax: CMD: min -47.4617 10.71 5.02533 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.4617 10.71 5.02533 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.4531 10.71 5.02533 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 662 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.7624 10.71 5.02533 0.55 protocols.relax.FastRelax: CMD: min -48.2133 10.9467 5.71341 0.55 protocols.relax.FastRelax: MRP: 1 -48.2133 -48.2133 10.9467 5.71341 protocols.relax.FastRelax: CMD: accept_to_best -48.2133 10.9467 5.71341 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.2133 10.9467 5.71341 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.2133 10.9467 5.71341 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6691 10.9467 5.71341 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 779 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.1274 10.9467 5.71341 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8016 10.9467 5.71341 0.02805 protocols.relax.FastRelax: CMD: min -93.8351 11.4028 5.4502 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.8351 11.4028 5.4502 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.0246 11.4028 5.4502 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 777 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3789 11.4028 5.4502 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.0025 11.4028 5.4502 0.154 protocols.relax.FastRelax: CMD: min -72.5924 11.3931 5.34496 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.5924 11.3931 5.34496 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.9524 11.3931 5.34496 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 706 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.9811 11.3931 5.34496 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5958 11.3931 5.34496 0.31955 protocols.relax.FastRelax: CMD: min -58.8329 11.2332 5.44274 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.8329 11.2332 5.44274 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1256 11.2332 5.44274 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 695 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.2803 11.2332 5.44274 0.55 protocols.relax.FastRelax: CMD: min -49.829 11.1896 5.41955 0.55 protocols.relax.FastRelax: MRP: 2 -49.829 -49.829 11.1896 5.41955 protocols.relax.FastRelax: CMD: accept_to_best -49.829 11.1896 5.41955 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.829 11.1896 5.41955 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.829 11.1896 5.41955 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.5485 11.1896 5.41955 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 779 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.2438 11.1896 5.41955 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9185 11.1896 5.41955 0.02805 protocols.relax.FastRelax: CMD: min -94.0011 11.5592 5.36539 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.0011 11.5592 5.36539 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1815 11.5592 5.36539 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 777 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.9611 11.5592 5.36539 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2445 11.5592 5.36539 0.154 protocols.relax.FastRelax: CMD: min -70.9741 11.3204 5.30092 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.9741 11.3204 5.30092 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0183 11.3204 5.30092 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 705 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.2096 11.3204 5.30092 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9395 11.3204 5.30092 0.31955 protocols.relax.FastRelax: CMD: min -56.8846 11.1214 5.41819 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.8846 11.1214 5.41819 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3222 11.1214 5.41819 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 713 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.4236 11.1214 5.41819 0.55 protocols.relax.FastRelax: CMD: min -49.2017 11.2063 5.3959 0.55 protocols.relax.FastRelax: MRP: 3 -49.2017 -49.829 11.1896 5.41955 protocols.relax.FastRelax: CMD: accept_to_best -49.2017 11.2063 5.3959 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.2017 11.2063 5.3959 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.2017 11.2063 5.3959 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2787 11.2063 5.3959 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 790 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.8578 11.2063 5.3959 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2883 11.2063 5.3959 0.02805 protocols.relax.FastRelax: CMD: min -94.133 11.6249 5.3198 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.133 11.6249 5.3198 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.6678 11.6249 5.3198 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 767 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.8341 11.6249 5.3198 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7832 11.6249 5.3198 0.154 protocols.relax.FastRelax: CMD: min -74.9735 11.373 5.2679 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9735 11.373 5.2679 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.8645 11.373 5.2679 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 705 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.8826 11.373 5.2679 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6142 11.373 5.2679 0.31955 protocols.relax.FastRelax: CMD: min -59.4864 11.3574 5.24872 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.4864 11.3574 5.24872 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8178 11.3574 5.24872 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 700 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.8847 11.3574 5.24872 0.55 protocols.relax.FastRelax: CMD: min -51.011 11.1935 5.42669 0.55 protocols.relax.FastRelax: MRP: 4 -51.011 -51.011 11.1935 5.42669 protocols.relax.FastRelax: CMD: accept_to_best -51.011 11.1935 5.42669 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.011 11.1935 5.42669 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_39.pdb protocols.relax.FastRelax: CMD: repeat 13264.3 10.8948 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13264.3 10.8948 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1976.09 10.8948 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 714 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 21.7283 10.8948 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 33.5336 10.8948 0 0.02805 protocols.relax.FastRelax: CMD: min -66.2599 10.541 1.53565 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.2599 10.541 1.53565 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -5.88661 10.541 1.53565 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 713 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.3397 10.541 1.53565 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4844 10.541 1.53565 0.154 protocols.relax.FastRelax: CMD: min -58.4305 10.5831 1.31204 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.4305 10.5831 1.31204 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.8408 10.5831 1.31204 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 612 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.4625 10.5831 1.31204 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0938 10.5831 1.31204 0.31955 protocols.relax.FastRelax: CMD: min -44.3665 10.6327 1.38639 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -44.3665 10.6327 1.38639 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.6203 10.6327 1.38639 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.7363 10.6327 1.38639 0.55 protocols.relax.FastRelax: CMD: min -41.1315 10.6509 1.88884 0.55 protocols.relax.FastRelax: MRP: 0 -41.1315 -41.1315 10.6509 1.88884 protocols.relax.FastRelax: CMD: accept_to_best -41.1315 10.6509 1.88884 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.1315 10.6509 1.88884 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1315 10.6509 1.88884 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6407 10.6509 1.88884 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 631 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.1764 10.6509 1.88884 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.5512 10.6509 1.88884 0.02805 protocols.relax.FastRelax: CMD: min -95.2593 10.5849 1.9353 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.2593 10.5849 1.9353 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.5684 10.5849 1.9353 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8752 10.5849 1.9353 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9118 10.5849 1.9353 0.154 protocols.relax.FastRelax: CMD: min -69.0688 10.6237 1.89709 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.0688 10.6237 1.89709 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9771 10.6237 1.89709 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 689 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.7706 10.6237 1.89709 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.1075 10.6237 1.89709 0.31955 protocols.relax.FastRelax: CMD: min -56.2029 10.629 1.86677 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.2029 10.629 1.86677 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3184 10.629 1.86677 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 585 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.6225 10.629 1.86677 0.55 protocols.relax.FastRelax: CMD: min -44.4382 10.6542 2.00245 0.55 protocols.relax.FastRelax: MRP: 1 -44.4382 -44.4382 10.6542 2.00245 protocols.relax.FastRelax: CMD: accept_to_best -44.4382 10.6542 2.00245 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.4382 10.6542 2.00245 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.4382 10.6542 2.00245 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4606 10.6542 2.00245 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.5153 10.6542 2.00245 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1277 10.6542 2.00245 0.02805 protocols.relax.FastRelax: CMD: min -96.7689 10.6863 2.26717 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.7689 10.6863 2.26717 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5967 10.6863 2.26717 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 702 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5282 10.6863 2.26717 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6842 10.6863 2.26717 0.154 protocols.relax.FastRelax: CMD: min -72.299 10.6139 1.99502 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.299 10.6139 1.99502 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.2155 10.6139 1.99502 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 582 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.2579 10.6139 1.99502 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.8457 10.6139 1.99502 0.31955 protocols.relax.FastRelax: CMD: min -53.8252 10.6245 2.01489 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.8252 10.6245 2.01489 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.208 10.6245 2.01489 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.4075 10.6245 2.01489 0.55 protocols.relax.FastRelax: CMD: min -44.4751 10.6554 2.0034 0.55 protocols.relax.FastRelax: MRP: 2 -44.4751 -44.4751 10.6554 2.0034 protocols.relax.FastRelax: CMD: accept_to_best -44.4751 10.6554 2.0034 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.4751 10.6554 2.0034 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.4751 10.6554 2.0034 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.5345 10.6554 2.0034 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.5875 10.6554 2.0034 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.2001 10.6554 2.0034 0.02805 protocols.relax.FastRelax: CMD: min -96.5154 10.6639 2.22994 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.5154 10.6639 2.22994 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7425 10.6639 2.22994 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 700 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5346 10.6639 2.22994 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.661 10.6639 2.22994 0.154 protocols.relax.FastRelax: CMD: min -73.2674 10.6148 2.00814 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.2674 10.6148 2.00814 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.111 10.6148 2.00814 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1579 10.6148 2.00814 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.819 10.6148 2.00814 0.31955 protocols.relax.FastRelax: CMD: min -55.4279 10.6295 2.02177 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.4279 10.6295 2.02177 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7902 10.6295 2.02177 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.869 10.6295 2.02177 0.55 protocols.relax.FastRelax: CMD: min -44.4083 10.6522 1.98521 0.55 protocols.relax.FastRelax: MRP: 3 -44.4083 -44.4751 10.6554 2.0034 protocols.relax.FastRelax: CMD: accept_to_best -44.4083 10.6522 1.98521 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.4083 10.6522 1.98521 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.4083 10.6522 1.98521 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4849 10.6522 1.98521 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.5702 10.6522 1.98521 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1814 10.6522 1.98521 0.02805 protocols.relax.FastRelax: CMD: min -96.9058 10.6858 2.23615 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.9058 10.6858 2.23615 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6007 10.6858 2.23615 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 700 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.4542 10.6858 2.23615 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5453 10.6858 2.23615 0.154 protocols.relax.FastRelax: CMD: min -73.1844 10.6241 2.02522 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.1844 10.6241 2.02522 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.2634 10.6241 2.02522 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.327 10.6241 2.02522 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9288 10.6241 2.02522 0.31955 protocols.relax.FastRelax: CMD: min -54.9196 10.6153 1.98982 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.9196 10.6153 1.98982 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.0518 10.6153 1.98982 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.2614 10.6153 1.98982 0.55 protocols.relax.FastRelax: CMD: min -44.3936 10.6536 1.87625 0.55 protocols.relax.FastRelax: MRP: 4 -44.3936 -44.4751 10.6554 2.0034 protocols.relax.FastRelax: CMD: accept_to_best -44.3936 10.6536 1.87625 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.3936 10.6536 1.87625 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_12.pdb protocols.relax.FastRelax: CMD: repeat 9279.63 14.096 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9279.63 14.096 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1833.11 14.096 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.98648 14.096 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 11.3552 14.096 0 0.02805 protocols.relax.FastRelax: CMD: min -31.6934 21.3594 13.7957 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.6934 21.3594 13.7957 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 2.67667 21.3594 13.7957 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -0.671758 21.3594 13.7957 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1.76604 21.3594 13.7957 0.154 protocols.relax.FastRelax: CMD: min -35.9053 20.4955 11.3101 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.9053 20.4955 11.3101 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -22.0199 20.4955 11.3101 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.6305 20.4955 11.3101 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5709 20.4955 11.3101 0.31955 protocols.relax.FastRelax: CMD: min -24.6305 20.1566 10.7339 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.6305 20.1566 10.7339 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.6097 20.1566 10.7339 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.8492 20.1566 10.7339 0.55 protocols.relax.FastRelax: CMD: min -26.1382 16.5373 5.6299 0.55 protocols.relax.FastRelax: MRP: 0 -26.1382 -26.1382 16.5373 5.6299 protocols.relax.FastRelax: CMD: accept_to_best -26.1382 16.5373 5.6299 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.1382 16.5373 5.6299 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.1382 16.5373 5.6299 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4847 16.5373 5.6299 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2174 16.5373 5.6299 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.8051 16.5373 5.6299 0.02805 protocols.relax.FastRelax: CMD: min -64.4022 16.9109 6.45927 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -64.4022 16.9109 6.45927 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.5438 16.9109 6.45927 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 493 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.6453 16.9109 6.45927 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6436 16.9109 6.45927 0.154 protocols.relax.FastRelax: CMD: min -48.4471 16.7816 6.22684 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -48.4471 16.7816 6.22684 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.45 16.7816 6.22684 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.8974 16.7816 6.22684 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.853 16.7816 6.22684 0.31955 protocols.relax.FastRelax: CMD: min -37.2147 16.5508 5.79445 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.2147 16.5508 5.79445 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.9133 16.5508 5.79445 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.9204 16.5508 5.79445 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 3.8147e-06 Deriv= -0.00648145 Finite Diff= 0.000865223 protocols.relax.FastRelax: CMD: min -28.8315 14.7573 4.41582 0.55 protocols.relax.FastRelax: MRP: 1 -28.8315 -28.8315 14.7573 4.41582 protocols.relax.FastRelax: CMD: accept_to_best -28.8315 14.7573 4.41582 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.8315 14.7573 4.41582 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.8315 14.7573 4.41582 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0428 14.7573 4.41582 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.5725 14.7573 4.41582 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -53.1564 14.7573 4.41582 0.02805 protocols.relax.FastRelax: CMD: min -70.5506 15.1795 5.48335 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -70.5506 15.1795 5.48335 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4429 15.1795 5.48335 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.3182 15.1795 5.48335 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.3357 15.1795 5.48335 0.154 protocols.relax.FastRelax: CMD: min -53.2133 14.3563 4.90853 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -53.2133 14.3563 4.90853 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -38.9038 14.3563 4.90853 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.295 14.3563 4.90853 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2965 14.3563 4.90853 0.31955 protocols.relax.FastRelax: CMD: min -42.9382 14.043 4.84629 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -42.9382 14.043 4.84629 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9231 14.043 4.84629 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.9504 14.043 4.84629 0.55 protocols.relax.FastRelax: CMD: min -41.3257 14.211 4.85983 0.55 protocols.relax.FastRelax: MRP: 2 -41.3257 -41.3257 14.211 4.85983 protocols.relax.FastRelax: CMD: accept_to_best -41.3257 14.211 4.85983 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.3257 14.211 4.85983 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -41.3257 14.211 4.85983 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0066 14.211 4.85983 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.3785 14.211 4.85983 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.9446 14.211 4.85983 0.02805 protocols.relax.FastRelax: CMD: min -78.9244 14.1347 5.14376 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -78.9244 14.1347 5.14376 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.3839 14.1347 5.14376 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.3303 14.1347 5.14376 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5396 14.1347 5.14376 0.154 protocols.relax.FastRelax: CMD: min -64.2579 14.152 4.96411 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.2579 14.152 4.96411 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.7108 14.152 4.96411 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.8645 14.152 4.96411 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7925 14.152 4.96411 0.31955 protocols.relax.FastRelax: CMD: min -50.6495 14.1808 4.94839 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.6495 14.1808 4.94839 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6676 14.1808 4.94839 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 461 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.7217 14.1808 4.94839 0.55 protocols.relax.FastRelax: CMD: min -42.002 14.2414 4.99716 0.55 protocols.relax.FastRelax: MRP: 3 -42.002 -42.002 14.2414 4.99716 protocols.relax.FastRelax: CMD: accept_to_best -42.002 14.2414 4.99716 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.002 14.2414 4.99716 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.002 14.2414 4.99716 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.013 14.2414 4.99716 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.4017 14.2414 4.99716 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -67.9616 14.2414 4.99716 0.02805 protocols.relax.FastRelax: CMD: min -85.8339 14.2634 5.40925 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.8339 14.2634 5.40925 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.4418 14.2634 5.40925 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.3012 14.2634 5.40925 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0668 14.2634 5.40925 0.154 protocols.relax.FastRelax: CMD: min -66.5353 14.1823 5.25205 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -66.5353 14.1823 5.25205 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.8795 14.1823 5.25205 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.439 14.1823 5.25205 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1935 14.1823 5.25205 0.31955 protocols.relax.FastRelax: CMD: min -50.2721 14.2073 5.21076 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.2721 14.2073 5.21076 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4751 14.2073 5.21076 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.5646 14.2073 5.21076 0.55 protocols.relax.FastRelax: CMD: min -42.9856 14.2855 5.01452 0.55 protocols.relax.FastRelax: MRP: 4 -42.9856 -42.9856 14.2855 5.01452 protocols.relax.FastRelax: CMD: accept_to_best -42.9856 14.2855 5.01452 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.9856 14.2855 5.01452 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_23.pdb protocols.relax.FastRelax: CMD: repeat 14059.4 15.3175 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14059.4 15.3175 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2025.8 15.3175 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.2849 15.3175 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -4.20889 15.3175 0 0.02805 protocols.relax.FastRelax: CMD: min 224.144 15.7288 4.49204 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 224.144 15.7288 4.49204 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 1683.82 15.7288 4.49204 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 588 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1115.9 15.7288 4.49204 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1184.68 15.7288 4.49204 0.154 protocols.relax.FastRelax: CMD: min -84.0967 15.0512 3.69952 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.0967 15.0512 3.69952 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.5914 15.0512 3.69952 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 552 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8746 15.0512 3.69952 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.5042 15.0512 3.69952 0.31955 protocols.relax.FastRelax: CMD: min -69.5054 14.9589 3.77889 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.5054 14.9589 3.77889 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5603 14.9589 3.77889 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.679 14.9589 3.77889 0.55 protocols.relax.FastRelax: CMD: min -78.9782 14.8521 3.82252 0.55 protocols.relax.FastRelax: MRP: 0 -78.9782 -78.9782 14.8521 3.82252 protocols.relax.FastRelax: CMD: accept_to_best -78.9782 14.8521 3.82252 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.9782 14.8521 3.82252 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -78.9782 14.8521 3.82252 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -106.355 14.8521 3.82252 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 682 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.036 14.8521 3.82252 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.13 14.8521 3.82252 0.02805 protocols.relax.FastRelax: CMD: min -126.501 14.8156 4.13649 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.501 14.8156 4.13649 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.7537 14.8156 4.13649 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 614 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.0642 14.8156 4.13649 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7311 14.8156 4.13649 0.154 protocols.relax.FastRelax: CMD: min -102.116 14.8177 3.96886 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -102.116 14.8177 3.96886 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.7806 14.8177 3.96886 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 597 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.1775 14.8177 3.96886 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.7856 14.8177 3.96886 0.31955 protocols.relax.FastRelax: CMD: min -91.5652 14.8212 3.8736 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.5652 14.8212 3.8736 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1403 14.8212 3.8736 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.1653 14.8212 3.8736 0.55 protocols.relax.FastRelax: CMD: min -80.158 14.8782 3.72354 0.55 protocols.relax.FastRelax: MRP: 1 -80.158 -80.158 14.8782 3.72354 protocols.relax.FastRelax: CMD: accept_to_best -80.158 14.8782 3.72354 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.158 14.8782 3.72354 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.158 14.8782 3.72354 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -107.534 14.8782 3.72354 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.603 14.8782 3.72354 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.687 14.8782 3.72354 0.02805 protocols.relax.FastRelax: CMD: min -128.675 14.8646 4.00563 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -128.675 14.8646 4.00563 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1329 14.8646 4.00563 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 607 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.9449 14.8646 4.00563 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8859 14.8646 4.00563 0.154 protocols.relax.FastRelax: CMD: min -105.866 14.9247 3.88715 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -105.866 14.9247 3.88715 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.1675 14.9247 3.88715 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.1902 14.9247 3.88715 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.7183 14.9247 3.88715 0.31955 protocols.relax.FastRelax: CMD: min -88.8883 14.9914 3.83746 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.8883 14.9914 3.83746 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.2222 14.9914 3.83746 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 598 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.564 14.9914 3.83746 0.55 protocols.relax.FastRelax: CMD: min -81.9603 14.9491 3.64936 0.55 protocols.relax.FastRelax: MRP: 2 -81.9603 -81.9603 14.9491 3.64936 protocols.relax.FastRelax: CMD: accept_to_best -81.9603 14.9491 3.64936 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.9603 14.9491 3.64936 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.9603 14.9491 3.64936 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -110.755 14.9491 3.64936 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 694 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -112.591 14.9491 3.64936 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.855 14.9491 3.64936 0.02805 protocols.relax.FastRelax: CMD: min -133.682 14.8494 3.94007 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -133.682 14.8494 3.94007 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -78.0154 14.8494 3.94007 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 658 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.2535 14.8494 3.94007 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.2388 14.8494 3.94007 0.154 protocols.relax.FastRelax: CMD: min -110.118 14.903 3.77115 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -110.118 14.903 3.77115 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -91.2046 14.903 3.77115 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 589 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.2184 14.903 3.77115 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.7293 14.903 3.77115 0.31955 protocols.relax.FastRelax: CMD: min -94.7931 14.9488 3.68905 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7931 14.9488 3.68905 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6266 14.9488 3.68905 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6589 14.9488 3.68905 0.55 protocols.relax.FastRelax: CMD: min -82.0471 15.0189 3.65023 0.55 protocols.relax.FastRelax: MRP: 3 -82.0471 -82.0471 15.0189 3.65023 protocols.relax.FastRelax: CMD: accept_to_best -82.0471 15.0189 3.65023 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.0471 15.0189 3.65023 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.0471 15.0189 3.65023 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -111.148 15.0189 3.65023 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 691 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.381 15.0189 3.65023 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -112.684 15.0189 3.65023 0.02805 protocols.relax.FastRelax: CMD: min -134.715 14.8595 3.95445 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -134.715 14.8595 3.95445 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1138 14.8595 3.95445 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1332 14.8595 3.95445 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7974 14.8595 3.95445 0.154 protocols.relax.FastRelax: CMD: min -109.714 14.952 3.76901 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.714 14.952 3.76901 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.2969 14.952 3.76901 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 586 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.9784 14.952 3.76901 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.4789 14.952 3.76901 0.31955 protocols.relax.FastRelax: CMD: min -94.9259 14.9947 3.68204 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9259 14.9947 3.68204 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6167 14.9947 3.68204 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.669 14.9947 3.68204 0.55 protocols.relax.FastRelax: CMD: min -82.5797 15.049 3.64404 0.55 protocols.relax.FastRelax: MRP: 4 -82.5797 -82.5797 15.049 3.64404 protocols.relax.FastRelax: CMD: accept_to_best -82.5797 15.049 3.64404 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.5797 15.049 3.64404 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_42.pdb protocols.relax.FastRelax: CMD: repeat 10459.8 10.9066 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10459.8 10.9066 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1955.94 10.9066 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 493 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 23.8886 10.9066 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 32.9609 10.9066 0 0.02805 protocols.relax.FastRelax: CMD: min -63.094 10.7597 2.61305 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.094 10.7597 2.61305 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8448 10.7597 2.61305 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 527 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4297 10.7597 2.61305 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0328 10.7597 2.61305 0.154 protocols.relax.FastRelax: CMD: min -57.0868 11.2781 3.4988 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -57.0868 11.2781 3.4988 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -38.72 11.2781 3.4988 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 605 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.6038 11.2781 3.4988 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2345 11.2781 3.4988 0.31955 protocols.relax.FastRelax: CMD: min -41.5299 11.2776 3.47688 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.5299 11.2776 3.47688 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2556 11.2776 3.47688 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.2319 11.2776 3.47688 0.55 protocols.relax.FastRelax: CMD: min -52.9685 11.6803 3.91989 0.55 protocols.relax.FastRelax: MRP: 0 -52.9685 -52.9685 11.6803 3.91989 protocols.relax.FastRelax: CMD: accept_to_best -52.9685 11.6803 3.91989 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.9685 11.6803 3.91989 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.9685 11.6803 3.91989 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1156 11.6803 3.91989 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 663 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.4862 11.6803 3.91989 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.6084 11.6803 3.91989 0.02805 protocols.relax.FastRelax: CMD: min -102.009 11.6282 4.23934 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.009 11.6282 4.23934 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5252 11.6282 4.23934 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 724 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.5789 11.6282 4.23934 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.79 11.6282 4.23934 0.154 protocols.relax.FastRelax: CMD: min -78.2844 11.698 4.08969 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.2844 11.698 4.08969 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6502 11.698 4.08969 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 602 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1206 11.698 4.08969 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7229 11.698 4.08969 0.31955 protocols.relax.FastRelax: CMD: min -63.5151 11.7336 4.06773 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5151 11.7336 4.06773 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.4294 11.7336 4.06773 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 600 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6473 11.7336 4.06773 0.55 protocols.relax.FastRelax: CMD: min -57.0117 11.6731 3.92297 0.55 protocols.relax.FastRelax: MRP: 1 -57.0117 -57.0117 11.6731 3.92297 protocols.relax.FastRelax: CMD: accept_to_best -57.0117 11.6731 3.92297 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.0117 11.6731 3.92297 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.0117 11.6731 3.92297 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.6974 11.6731 3.92297 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 640 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.1881 11.6731 3.92297 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6594 11.6731 3.92297 0.02805 protocols.relax.FastRelax: CMD: min -101.126 11.5989 4.21163 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.126 11.5989 4.21163 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.1664 11.5989 4.21163 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 650 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.4623 11.5989 4.21163 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.7271 11.5989 4.21163 0.154 protocols.relax.FastRelax: CMD: min -80.5052 11.6608 4.3204 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.5052 11.6608 4.3204 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7262 11.6608 4.3204 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.3838 11.6608 4.3204 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1237 11.6608 4.3204 0.31955 protocols.relax.FastRelax: CMD: min -67.0031 11.7104 4.34911 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.0031 11.7104 4.34911 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.2563 11.7104 4.34911 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 602 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7455 11.7104 4.34911 0.55 protocols.relax.FastRelax: CMD: min -61.4252 11.7426 4.47922 0.55 protocols.relax.FastRelax: MRP: 2 -61.4252 -61.4252 11.7426 4.47922 protocols.relax.FastRelax: CMD: accept_to_best -61.4252 11.7426 4.47922 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.4252 11.7426 4.47922 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4252 11.7426 4.47922 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2845 11.7426 4.47922 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 638 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.3767 11.7426 4.47922 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9181 11.7426 4.47922 0.02805 protocols.relax.FastRelax: CMD: min -108.454 11.6096 4.61063 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.454 11.6096 4.61063 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.969 11.6096 4.61063 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 717 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8134 11.6096 4.61063 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7606 11.6096 4.61063 0.154 protocols.relax.FastRelax: CMD: min -85.608 11.703 4.57932 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.608 11.703 4.57932 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.4159 11.703 4.57932 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 678 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.8128 11.703 4.57932 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5159 11.703 4.57932 0.31955 protocols.relax.FastRelax: CMD: min -70.4482 11.7176 4.55339 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4482 11.7176 4.55339 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.4125 11.7176 4.55339 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 672 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7166 11.7176 4.55339 0.55 protocols.relax.FastRelax: CMD: min -61.4738 11.7426 4.46817 0.55 protocols.relax.FastRelax: MRP: 3 -61.4738 -61.4738 11.7426 4.46817 protocols.relax.FastRelax: CMD: accept_to_best -61.4738 11.7426 4.46817 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.4738 11.7426 4.46817 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4738 11.7426 4.46817 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2483 11.7426 4.46817 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 637 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.3107 11.7426 4.46817 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.8494 11.7426 4.46817 0.02805 protocols.relax.FastRelax: CMD: min -106.045 11.5568 4.50091 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.045 11.5568 4.50091 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0774 11.5568 4.50091 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 704 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.0718 11.5568 4.50091 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.1703 11.5568 4.50091 0.154 protocols.relax.FastRelax: CMD: min -84.9472 11.6873 4.55862 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.9472 11.6873 4.55862 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6174 11.6873 4.55862 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 678 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.2109 11.6873 4.55862 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0049 11.6873 4.55862 0.31955 protocols.relax.FastRelax: CMD: min -70.865 11.7108 4.54986 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.865 11.7108 4.54986 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4975 11.7108 4.54986 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 670 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.6395 11.7108 4.54986 0.55 protocols.relax.FastRelax: CMD: min -61.521 11.7542 4.47777 0.55 protocols.relax.FastRelax: MRP: 4 -61.521 -61.521 11.7542 4.47777 protocols.relax.FastRelax: CMD: accept_to_best -61.521 11.7542 4.47777 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.521 11.7542 4.47777 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_0.pdb protocols.relax.FastRelax: CMD: repeat 16508.4 12.8361 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16508.4 12.8361 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1992.38 12.8361 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 114.895 12.8361 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 158.949 12.8361 0 0.02805 protocols.relax.FastRelax: CMD: min -75.0614 12.1553 3.00879 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0614 12.1553 3.00879 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 21.0011 12.1553 3.00879 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 603 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.83368 12.1553 3.00879 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.10929 12.1553 3.00879 0.154 protocols.relax.FastRelax: CMD: min -60.6416 12.1367 3.45291 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6416 12.1367 3.45291 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.3463 12.1367 3.45291 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 627 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1722 12.1367 3.45291 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6142 12.1367 3.45291 0.31955 protocols.relax.FastRelax: CMD: min -46.1697 12.1539 3.51244 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -46.1697 12.1539 3.51244 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9131 12.1539 3.51244 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 646 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.0392 12.1539 3.51244 0.55 protocols.relax.FastRelax: CMD: min -50.4453 11.8543 4.39141 0.55 protocols.relax.FastRelax: MRP: 0 -50.4453 -50.4453 11.8543 4.39141 protocols.relax.FastRelax: CMD: accept_to_best -50.4453 11.8543 4.39141 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.4453 11.8543 4.39141 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.4453 11.8543 4.39141 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4403 11.8543 4.39141 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 759 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.9715 11.8543 4.39141 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.6099 11.8543 4.39141 0.02805 protocols.relax.FastRelax: CMD: min -102.76 11.8362 3.8682 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.76 11.8362 3.8682 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.7028 11.8362 3.8682 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 701 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.8773 11.8362 3.8682 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2315 11.8362 3.8682 0.154 protocols.relax.FastRelax: CMD: min -76.5403 11.7875 4.28408 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.5403 11.7875 4.28408 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.2101 11.7875 4.28408 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.5982 11.7875 4.28408 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.108 11.7875 4.28408 0.31955 protocols.relax.FastRelax: CMD: min -61.8399 11.7896 4.45138 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.8399 11.7896 4.45138 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.0897 11.7896 4.45138 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.152 11.7896 4.45138 0.55 protocols.relax.FastRelax: CMD: min -52.2293 11.7077 4.7055 0.55 protocols.relax.FastRelax: MRP: 1 -52.2293 -52.2293 11.7077 4.7055 protocols.relax.FastRelax: CMD: accept_to_best -52.2293 11.7077 4.7055 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2293 11.7077 4.7055 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2293 11.7077 4.7055 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.4569 11.7077 4.7055 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 743 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.7847 11.7077 4.7055 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.3904 11.7077 4.7055 0.02805 protocols.relax.FastRelax: CMD: min -103.988 11.6732 4.34584 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.988 11.6732 4.34584 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.4797 11.6732 4.34584 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 633 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4428 11.6732 4.34584 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.509 11.6732 4.34584 0.154 protocols.relax.FastRelax: CMD: min -80.6074 11.659 4.62177 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.6074 11.659 4.62177 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8915 11.659 4.62177 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 605 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.2253 11.659 4.62177 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7618 11.659 4.62177 0.31955 protocols.relax.FastRelax: CMD: min -64.9594 11.6801 4.68203 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9594 11.6801 4.68203 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5953 11.6801 4.68203 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 604 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.687 11.6801 4.68203 0.55 protocols.relax.FastRelax: CMD: min -52.2602 11.7096 4.71532 0.55 protocols.relax.FastRelax: MRP: 2 -52.2602 -52.2602 11.7096 4.71532 protocols.relax.FastRelax: CMD: accept_to_best -52.2602 11.7096 4.71532 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2602 11.7096 4.71532 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2602 11.7096 4.71532 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8574 11.7096 4.71532 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 723 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.1233 11.7096 4.71532 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7319 11.7096 4.71532 0.02805 protocols.relax.FastRelax: CMD: min -106.698 11.5726 4.52645 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.698 11.5726 4.52645 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.4707 11.5726 4.52645 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.9754 11.5726 4.52645 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.0568 11.5726 4.52645 0.154 protocols.relax.FastRelax: CMD: min -78.4539 11.6528 4.60615 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4539 11.6528 4.60615 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.305 11.6528 4.60615 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.6106 11.6528 4.60615 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0997 11.6528 4.60615 0.31955 protocols.relax.FastRelax: CMD: min -64.6458 11.6746 4.76148 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.6458 11.6746 4.76148 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.119 11.6746 4.76148 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.1836 11.6746 4.76148 0.55 protocols.relax.FastRelax: CMD: min -54.595 11.8067 4.46478 0.55 protocols.relax.FastRelax: MRP: 3 -54.595 -54.595 11.8067 4.46478 protocols.relax.FastRelax: CMD: accept_to_best -54.595 11.8067 4.46478 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.595 11.8067 4.46478 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.595 11.8067 4.46478 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.91 11.8067 4.46478 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 698 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.057 11.8067 4.46478 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6886 11.8067 4.46478 0.02805 protocols.relax.FastRelax: CMD: min -109.562 11.7274 4.20837 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.562 11.7274 4.20837 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8566 11.7274 4.20837 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.4288 11.7274 4.20837 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3819 11.7274 4.20837 0.154 protocols.relax.FastRelax: CMD: min -83.1359 11.7643 4.41052 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1359 11.7643 4.41052 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1592 11.7643 4.41052 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.3514 11.7643 4.41052 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7744 11.7643 4.41052 0.31955 protocols.relax.FastRelax: CMD: min -66.1174 11.7872 4.50124 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.1174 11.7872 4.50124 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2117 11.7872 4.50124 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.7239 11.7872 4.50124 0.55 protocols.relax.FastRelax: CMD: min -54.5953 11.8071 4.463 0.55 protocols.relax.FastRelax: MRP: 4 -54.5953 -54.5953 11.8071 4.463 protocols.relax.FastRelax: CMD: accept_to_best -54.5953 11.8071 4.463 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.5953 11.8071 4.463 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_1.pdb protocols.relax.FastRelax: CMD: repeat 13967.6 14.862 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13967.6 14.862 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1987.13 14.862 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.82276 14.862 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -0.145925 14.862 0 0.02805 protocols.relax.FastRelax: CMD: min -83.9247 14.2013 3.28193 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.9247 14.2013 3.28193 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5869 14.2013 3.28193 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.5826 14.2013 3.28193 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.1886 14.2013 3.28193 0.154 protocols.relax.FastRelax: CMD: min -65.1234 14.2832 3.22838 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.1234 14.2832 3.22838 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9457 14.2832 3.22838 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.5335 14.2832 3.22838 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.3066 14.2832 3.22838 0.31955 protocols.relax.FastRelax: CMD: min -58.8943 14.4624 2.96597 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.8943 14.4624 2.96597 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.4894 14.4624 2.96597 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.4967 14.4624 2.96597 0.55 protocols.relax.FastRelax: CMD: min -66.3533 13.7267 4.61398 0.55 protocols.relax.FastRelax: MRP: 0 -66.3533 -66.3533 13.7267 4.61398 protocols.relax.FastRelax: CMD: accept_to_best -66.3533 13.7267 4.61398 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.3533 13.7267 4.61398 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.3533 13.7267 4.61398 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0963 13.7267 4.61398 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5411 13.7267 4.61398 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.0313 13.7267 4.61398 0.02805 protocols.relax.FastRelax: CMD: min -105.788 13.6774 4.64539 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.788 13.6774 4.64539 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8216 13.6774 4.64539 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.5852 13.6774 4.64539 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2411 13.6774 4.64539 0.154 protocols.relax.FastRelax: CMD: min -89.9837 13.6529 4.65661 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.9837 13.6529 4.65661 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0061 13.6529 4.65661 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.1318 13.6529 4.65661 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1092 13.6529 4.65661 0.31955 protocols.relax.FastRelax: CMD: min -78.6389 13.7068 4.61639 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.6389 13.7068 4.61639 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8751 13.7068 4.61639 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.8757 13.7068 4.61639 0.55 protocols.relax.FastRelax: CMD: min -79.2842 12.2588 6.67592 0.55 protocols.relax.FastRelax: MRP: 1 -79.2842 -79.2842 12.2588 6.67592 protocols.relax.FastRelax: CMD: accept_to_best -79.2842 12.2588 6.67592 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.2842 12.2588 6.67592 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2842 12.2588 6.67592 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.742 12.2588 6.67592 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.315 12.2588 6.67592 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.856 12.2588 6.67592 0.02805 protocols.relax.FastRelax: CMD: min -125.576 12.1394 7.00425 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.576 12.1394 7.00425 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7784 12.1394 7.00425 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 602 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.9749 12.1394 7.00425 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2753 12.1394 7.00425 0.154 protocols.relax.FastRelax: CMD: min -102.477 12.1324 7.00283 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -102.477 12.1324 7.00283 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4488 12.1324 7.00283 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.7527 12.1324 7.00283 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4795 12.1324 7.00283 0.31955 protocols.relax.FastRelax: CMD: min -91.8155 12.1708 6.89996 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.8155 12.1708 6.89996 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -77.7489 12.1708 6.89996 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.7512 12.1708 6.89996 0.55 protocols.relax.FastRelax: CMD: min -89.6036 11.1903 8.91939 0.55 protocols.relax.FastRelax: MRP: 2 -89.6036 -89.6036 11.1903 8.91939 protocols.relax.FastRelax: CMD: accept_to_best -89.6036 11.1903 8.91939 0.55 protocols.relax.FastRelax: CMD: endrepeat -89.6036 11.1903 8.91939 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -89.6036 11.1903 8.91939 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -113.693 11.1903 8.91939 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 602 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.874 11.1903 8.91939 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -115.235 11.1903 8.91939 0.02805 protocols.relax.FastRelax: CMD: min -145.287 11.0908 9.69215 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -145.287 11.0908 9.69215 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -84.0166 11.0908 9.69215 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 679 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.866 11.0908 9.69215 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4762 11.0908 9.69215 0.154 protocols.relax.FastRelax: CMD: min -117.986 11.0781 9.65855 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.986 11.0781 9.65855 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2903 11.0781 9.65855 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 599 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.2928 11.0781 9.65855 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -96.7399 11.0781 9.65855 0.31955 protocols.relax.FastRelax: CMD: min -103.16 11.1477 9.50072 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -103.16 11.1477 9.50072 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -84.762 11.1477 9.50072 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.7749 11.1477 9.50072 0.55 protocols.relax.FastRelax: CMD: min -93.475 11.3072 9.35311 0.55 protocols.relax.FastRelax: MRP: 3 -93.475 -93.475 11.3072 9.35311 protocols.relax.FastRelax: CMD: accept_to_best -93.475 11.3072 9.35311 0.55 protocols.relax.FastRelax: CMD: endrepeat -93.475 11.3072 9.35311 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -93.475 11.3072 9.35311 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -119.736 11.3072 9.35311 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 655 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.662 11.3072 9.35311 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -120.913 11.3072 9.35311 0.02805 protocols.relax.FastRelax: CMD: min -144.052 11.4021 9.45457 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -144.052 11.4021 9.45457 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4065 11.4021 9.45457 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.1852 11.4021 9.45457 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -89.689 11.4021 9.45457 0.154 protocols.relax.FastRelax: CMD: min -119.933 11.3179 9.43034 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.933 11.3179 9.43034 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -100.959 11.3179 9.43034 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 608 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.986 11.3179 9.43034 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -99.4908 11.3179 9.43034 0.31955 protocols.relax.FastRelax: CMD: min -105.342 11.3326 9.36169 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -105.342 11.3326 9.36169 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -88.0445 11.3326 9.36169 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.0445 11.3326 9.36169 0.55 protocols.relax.FastRelax: CMD: min -93.4931 11.3075 9.35145 0.55 protocols.relax.FastRelax: MRP: 4 -93.4931 -93.4931 11.3075 9.35145 protocols.relax.FastRelax: CMD: accept_to_best -93.4931 11.3075 9.35145 0.55 protocols.relax.FastRelax: CMD: endrepeat -93.4931 11.3075 9.35145 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_47.pdb protocols.relax.FastRelax: CMD: repeat 10330.6 11.0965 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10330.6 11.0965 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1881.37 11.0965 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.38123 11.0965 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 10.3997 11.0965 0 0.02805 protocols.relax.FastRelax: CMD: min -52.3816 12.0199 2.7364 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.3816 12.0199 2.7364 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.2416 12.0199 2.7364 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.7845 12.0199 2.7364 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.8236 12.0199 2.7364 0.154 protocols.relax.FastRelax: CMD: min -53.9788 12.1436 3.03602 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -53.9788 12.1436 3.03602 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8512 12.1436 3.03602 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 597 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.0415 12.1436 3.03602 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8718 12.1436 3.03602 0.31955 protocols.relax.FastRelax: CMD: min -40.0379 12.1227 2.94903 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.0379 12.1227 2.94903 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3669 12.1227 2.94903 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.9449 12.1227 2.94903 0.55 protocols.relax.FastRelax: CMD: min -49.4047 11.8566 3.02691 0.55 protocols.relax.FastRelax: MRP: 0 -49.4047 -49.4047 11.8566 3.02691 protocols.relax.FastRelax: CMD: accept_to_best -49.4047 11.8566 3.02691 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.4047 11.8566 3.02691 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.4047 11.8566 3.02691 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.7516 11.8566 3.02691 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.4447 11.8566 3.02691 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9963 11.8566 3.02691 0.02805 protocols.relax.FastRelax: CMD: min -93.1033 11.8603 3.44123 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.1033 11.8603 3.44123 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.1684 11.8603 3.44123 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.4537 11.8603 3.44123 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.0389 11.8603 3.44123 0.154 protocols.relax.FastRelax: CMD: min -75.4149 11.905 3.27798 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.4149 11.905 3.27798 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.9813 11.905 3.27798 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.3642 11.905 3.27798 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.2299 11.905 3.27798 0.31955 protocols.relax.FastRelax: CMD: min -62.8718 11.9114 3.17196 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.8718 11.9114 3.17196 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.1371 11.9114 3.17196 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.2419 11.9114 3.17196 0.55 protocols.relax.FastRelax: CMD: min -60.9032 11.8682 3.08683 0.55 protocols.relax.FastRelax: MRP: 1 -60.9032 -60.9032 11.8682 3.08683 protocols.relax.FastRelax: CMD: accept_to_best -60.9032 11.8682 3.08683 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.9032 11.8682 3.08683 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.9032 11.8682 3.08683 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.4134 11.8682 3.08683 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 569 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.9092 11.8682 3.08683 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.6094 11.8682 3.08683 0.02805 protocols.relax.FastRelax: CMD: min -94.919 11.9065 3.41266 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.919 11.9065 3.41266 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2777 11.9065 3.41266 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 586 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.9419 11.9065 3.41266 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.2873 11.9065 3.41266 0.154 protocols.relax.FastRelax: CMD: min -82.6788 11.8967 3.20383 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.6788 11.8967 3.20383 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5785 11.8967 3.20383 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.6865 11.8967 3.20383 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7527 11.8967 3.20383 0.31955 protocols.relax.FastRelax: CMD: min -72.649 11.86 3.15994 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.649 11.86 3.15994 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5976 11.86 3.15994 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.598 11.86 3.15994 0.55 protocols.relax.FastRelax: CMD: min -69.4715 11.8674 3.25824 0.55 protocols.relax.FastRelax: MRP: 2 -69.4715 -69.4715 11.8674 3.25824 protocols.relax.FastRelax: CMD: accept_to_best -69.4715 11.8674 3.25824 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.4715 11.8674 3.25824 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4715 11.8674 3.25824 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.0631 11.8674 3.25824 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.8926 11.8674 3.25824 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.5432 11.8674 3.25824 0.02805 protocols.relax.FastRelax: CMD: min -114.24 11.8033 3.72368 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -114.24 11.8033 3.72368 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1155 11.8033 3.72368 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.3677 11.8033 3.72368 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8693 11.8033 3.72368 0.154 protocols.relax.FastRelax: CMD: min -94.4047 11.8268 3.5444 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.4047 11.8268 3.5444 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78 11.8268 3.5444 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.4101 11.8268 3.5444 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.134 11.8268 3.5444 0.31955 protocols.relax.FastRelax: CMD: min -81.472 11.8256 3.44543 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.472 11.8256 3.44543 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.1181 11.8256 3.44543 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.1425 11.8256 3.44543 0.55 protocols.relax.FastRelax: CMD: min -75.3521 11.6848 3.56928 0.55 protocols.relax.FastRelax: MRP: 3 -75.3521 -75.3521 11.6848 3.56928 protocols.relax.FastRelax: CMD: accept_to_best -75.3521 11.6848 3.56928 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.3521 11.6848 3.56928 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.3521 11.6848 3.56928 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5033 11.6848 3.56928 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 588 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.927 11.6848 3.56928 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.5917 11.6848 3.56928 0.02805 protocols.relax.FastRelax: CMD: min -118.138 11.5699 3.89289 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.138 11.5699 3.89289 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4937 11.5699 3.89289 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.7857 11.5699 3.89289 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2492 11.5699 3.89289 0.154 protocols.relax.FastRelax: CMD: min -98.1665 11.55 3.81356 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.1665 11.55 3.81356 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.4271 11.55 3.81356 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.502 11.55 3.81356 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.266 11.55 3.81356 0.31955 protocols.relax.FastRelax: CMD: min -84.9194 11.5866 3.72201 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.9194 11.5866 3.72201 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.9079 11.5866 3.72201 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.2172 11.5866 3.72201 0.55 protocols.relax.FastRelax: CMD: min -74.3152 11.5816 3.6957 0.55 protocols.relax.FastRelax: MRP: 4 -74.3152 -75.3521 11.6848 3.56928 protocols.relax.FastRelax: CMD: accept_to_best -74.3152 11.5816 3.6957 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.3152 11.5816 3.6957 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_27.pdb protocols.relax.FastRelax: CMD: repeat 11398.3 12.6068 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11398.3 12.6068 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1833.24 12.6068 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 48.2978 12.6068 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 76.9569 12.6068 0 0.02805 protocols.relax.FastRelax: CMD: min -95.7905 12.5007 3.5157 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.7905 12.5007 3.5157 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.4229 12.5007 3.5157 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.4609 12.5007 3.5157 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.3735 12.5007 3.5157 0.154 protocols.relax.FastRelax: CMD: min -79.5352 12.6458 3.48178 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.5352 12.6458 3.48178 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0157 12.6458 3.48178 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 604 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3444 12.6458 3.48178 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.8295 12.6458 3.48178 0.31955 protocols.relax.FastRelax: CMD: min -62.8009 12.6631 3.55886 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.8009 12.6631 3.55886 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.5091 12.6631 3.55886 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.8027 12.6631 3.55886 0.55 protocols.relax.FastRelax: CMD: min -69.6037 12.5782 2.93399 0.55 protocols.relax.FastRelax: MRP: 0 -69.6037 -69.6037 12.5782 2.93399 protocols.relax.FastRelax: CMD: accept_to_best -69.6037 12.5782 2.93399 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.6037 12.5782 2.93399 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.6037 12.5782 2.93399 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.9834 12.5782 2.93399 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.0733 12.5782 2.93399 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.6101 12.5782 2.93399 0.02805 protocols.relax.FastRelax: CMD: min -118.992 12.4835 2.75184 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.992 12.4835 2.75184 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.051 12.4835 2.75184 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 638 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.4154 12.4835 2.75184 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4443 12.4835 2.75184 0.154 protocols.relax.FastRelax: CMD: min -96.3536 12.6472 3.11323 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.3536 12.6472 3.11323 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1809 12.6472 3.11323 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.8291 12.6472 3.11323 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.6291 12.6472 3.11323 0.31955 protocols.relax.FastRelax: CMD: min -81.8728 12.6796 3.10506 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.8728 12.6796 3.10506 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.3758 12.6796 3.10506 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.4621 12.6796 3.10506 0.55 protocols.relax.FastRelax: CMD: min -74.8227 12.6988 3.26525 0.55 protocols.relax.FastRelax: MRP: 1 -74.8227 -74.8227 12.6988 3.26525 protocols.relax.FastRelax: CMD: accept_to_best -74.8227 12.6988 3.26525 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.8227 12.6988 3.26525 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.8227 12.6988 3.26525 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.15 12.6988 3.26525 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.16 12.6988 3.26525 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.689 12.6988 3.26525 0.02805 protocols.relax.FastRelax: CMD: min -124.263 12.5477 3.01606 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -124.263 12.5477 3.01606 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.6835 12.5477 3.01606 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 627 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.799 12.5477 3.01606 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9569 12.5477 3.01606 0.154 protocols.relax.FastRelax: CMD: min -98.4998 12.6071 3.07792 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.4998 12.6071 3.07792 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3525 12.6071 3.07792 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 615 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.7843 12.6071 3.07792 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1161 12.6071 3.07792 0.31955 protocols.relax.FastRelax: CMD: min -85.3742 12.6846 3.29541 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -85.3742 12.6846 3.29541 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8478 12.6846 3.29541 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.9998 12.6846 3.29541 0.55 protocols.relax.FastRelax: CMD: min -75.6036 12.7488 3.18633 0.55 protocols.relax.FastRelax: MRP: 2 -75.6036 -75.6036 12.7488 3.18633 protocols.relax.FastRelax: CMD: accept_to_best -75.6036 12.7488 3.18633 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.6036 12.7488 3.18633 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.6036 12.7488 3.18633 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.573 12.7488 3.18633 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 648 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.954 12.7488 3.18633 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.521 12.7488 3.18633 0.02805 protocols.relax.FastRelax: CMD: min -116.069 12.7354 3.16873 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.069 12.7354 3.16873 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -81.4381 12.7354 3.16873 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.2481 12.7354 3.16873 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.131 12.7354 3.16873 0.154 protocols.relax.FastRelax: CMD: min -101.497 12.7343 3.14056 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.497 12.7343 3.14056 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.7847 12.7343 3.14056 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.8754 12.7343 3.14056 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.6374 12.7343 3.14056 0.31955 protocols.relax.FastRelax: CMD: min -88.1605 12.7436 3.15579 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.1605 12.7436 3.15579 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8919 12.7436 3.15579 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.8946 12.7436 3.15579 0.55 protocols.relax.FastRelax: CMD: min -75.7602 12.7456 3.18825 0.55 protocols.relax.FastRelax: MRP: 3 -75.7602 -75.7602 12.7456 3.18825 protocols.relax.FastRelax: CMD: accept_to_best -75.7602 12.7456 3.18825 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.7602 12.7456 3.18825 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7602 12.7456 3.18825 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.11 12.7456 3.18825 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 644 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.993 12.7456 3.18825 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.573 12.7456 3.18825 0.02805 protocols.relax.FastRelax: CMD: min -116.14 12.7326 3.16998 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.14 12.7326 3.16998 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -81.656 12.7326 3.16998 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.4556 12.7326 3.16998 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.3311 12.7326 3.16998 0.154 protocols.relax.FastRelax: CMD: min -102.316 12.7275 3.11247 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -102.316 12.7275 3.11247 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -86.5027 12.7275 3.11247 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.8065 12.7275 3.11247 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.58 12.7275 3.11247 0.31955 protocols.relax.FastRelax: CMD: min -88.4302 12.7408 3.14426 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.4302 12.7408 3.14426 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.6249 12.7408 3.14426 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.6304 12.7408 3.14426 0.55 protocols.relax.FastRelax: CMD: min -75.761 12.7448 3.18876 0.55 protocols.relax.FastRelax: MRP: 4 -75.761 -75.761 12.7448 3.18876 protocols.relax.FastRelax: CMD: accept_to_best -75.761 12.7448 3.18876 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.761 12.7448 3.18876 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_37.pdb protocols.relax.FastRelax: CMD: repeat 11486.3 12.8099 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11486.3 12.8099 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1979.67 12.8099 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 571 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 26.8109 12.8099 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 38.2916 12.8099 0 0.02805 protocols.relax.FastRelax: CMD: min -52.757 12.5328 1.91132 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.757 12.5328 1.91132 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 16.7824 12.5328 1.91132 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 671 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.84007 12.5328 1.91132 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 5.55108 12.5328 1.91132 0.154 protocols.relax.FastRelax: CMD: min -45.6109 12.781 1.80428 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.6109 12.781 1.80428 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0017 12.781 1.80428 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 654 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0966 12.781 1.80428 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7118 12.781 1.80428 0.31955 protocols.relax.FastRelax: CMD: min -31.2794 12.7813 1.68411 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.2794 12.7813 1.68411 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.7707 12.7813 1.68411 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 647 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.1653 12.7813 1.68411 0.55 protocols.relax.FastRelax: CMD: min -40.3851 12.7337 2.84341 0.55 protocols.relax.FastRelax: MRP: 0 -40.3851 -40.3851 12.7337 2.84341 protocols.relax.FastRelax: CMD: accept_to_best -40.3851 12.7337 2.84341 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.3851 12.7337 2.84341 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.3851 12.7337 2.84341 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9228 12.7337 2.84341 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 639 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.009 12.7337 2.84341 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0496 12.7337 2.84341 0.02805 protocols.relax.FastRelax: CMD: min -89.1577 12.9012 3.23007 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1577 12.9012 3.23007 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8675 12.9012 3.23007 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 627 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.158 12.9012 3.23007 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.9356 12.9012 3.23007 0.154 protocols.relax.FastRelax: CMD: min -70.8986 12.8191 3.06801 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.8986 12.8191 3.06801 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5147 12.8191 3.06801 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 598 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.6551 12.8191 3.06801 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2899 12.8191 3.06801 0.31955 protocols.relax.FastRelax: CMD: min -57.1835 12.7783 2.96979 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.1835 12.7783 2.96979 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.8463 12.7783 2.96979 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 586 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.4022 12.7783 2.96979 0.55 protocols.relax.FastRelax: CMD: min -49.0187 12.7604 2.81417 0.55 protocols.relax.FastRelax: MRP: 1 -49.0187 -49.0187 12.7604 2.81417 protocols.relax.FastRelax: CMD: accept_to_best -49.0187 12.7604 2.81417 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.0187 12.7604 2.81417 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.0187 12.7604 2.81417 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4414 12.7604 2.81417 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 645 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.7956 12.7604 2.81417 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.3245 12.7604 2.81417 0.02805 protocols.relax.FastRelax: CMD: min -102.692 12.8076 3.09769 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.692 12.8076 3.09769 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2694 12.8076 3.09769 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 590 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8384 12.8076 3.09769 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4888 12.8076 3.09769 0.154 protocols.relax.FastRelax: CMD: min -75.5796 12.7315 3.01507 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.5796 12.7315 3.01507 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.3604 12.7315 3.01507 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.4341 12.7315 3.01507 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.9408 12.7315 3.01507 0.31955 protocols.relax.FastRelax: CMD: min -59.4127 12.7233 2.91832 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.4127 12.7233 2.91832 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.6651 12.7233 2.91832 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.8533 12.7233 2.91832 0.55 protocols.relax.FastRelax: CMD: min -51.3042 12.6854 2.95382 0.55 protocols.relax.FastRelax: MRP: 2 -51.3042 -51.3042 12.6854 2.95382 protocols.relax.FastRelax: CMD: accept_to_best -51.3042 12.6854 2.95382 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.3042 12.6854 2.95382 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.3042 12.6854 2.95382 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0161 12.6854 2.95382 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 643 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.2873 12.6854 2.95382 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.5956 12.6854 2.95382 0.02805 protocols.relax.FastRelax: CMD: min -99.5309 12.7727 3.11822 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.5309 12.7727 3.11822 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9247 12.7727 3.11822 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.4279 12.7727 3.11822 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.3236 12.7727 3.11822 0.154 protocols.relax.FastRelax: CMD: min -76.1837 12.7074 3.02733 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.1837 12.7074 3.02733 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.718 12.7074 3.02733 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.0955 12.7074 3.02733 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7286 12.7074 3.02733 0.31955 protocols.relax.FastRelax: CMD: min -61.5855 12.682 2.95451 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.5855 12.682 2.95451 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.6173 12.682 2.95451 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.7455 12.682 2.95451 0.55 protocols.relax.FastRelax: CMD: min -51.5386 12.6938 2.9666 0.55 protocols.relax.FastRelax: MRP: 3 -51.5386 -51.5386 12.6938 2.9666 protocols.relax.FastRelax: CMD: accept_to_best -51.5386 12.6938 2.9666 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.5386 12.6938 2.9666 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.5386 12.6938 2.9666 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4441 12.6938 2.9666 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 644 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.7347 12.6938 2.9666 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0093 12.6938 2.9666 0.02805 protocols.relax.FastRelax: CMD: min -102.054 12.7863 3.19822 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.054 12.7863 3.19822 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.7881 12.7863 3.19822 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.1298 12.7863 3.19822 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8832 12.7863 3.19822 0.154 protocols.relax.FastRelax: CMD: min -76.3536 12.7258 3.04476 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.3536 12.7258 3.04476 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.5895 12.7258 3.04476 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.6914 12.7258 3.04476 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.2843 12.7258 3.04476 0.31955 protocols.relax.FastRelax: CMD: min -62.2393 12.7024 2.99392 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.2393 12.7024 2.99392 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.6489 12.7024 2.99392 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.813 12.7024 2.99392 0.55 protocols.relax.FastRelax: CMD: min -51.5471 12.6932 2.96124 0.55 protocols.relax.FastRelax: MRP: 4 -51.5471 -51.5471 12.6932 2.96124 protocols.relax.FastRelax: CMD: accept_to_best -51.5471 12.6932 2.96124 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.5471 12.6932 2.96124 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_7.pdb protocols.relax.FastRelax: CMD: repeat 10667.3 13.5475 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10667.3 13.5475 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1834.39 13.5475 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 27.848 13.5475 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 33.6942 13.5475 0 0.02805 protocols.relax.FastRelax: CMD: min -43.6207 13.5835 2.49992 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.6207 13.5835 2.49992 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 6.26121 13.5835 2.49992 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.495 13.5835 2.49992 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -9.28024 13.5835 2.49992 0.154 protocols.relax.FastRelax: CMD: min -35.9059 13.27 2.6383 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.9059 13.27 2.6383 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9927 13.27 2.6383 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.4394 13.27 2.6383 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.3507 13.27 2.6383 0.31955 protocols.relax.FastRelax: CMD: min -25.6063 13.2768 2.63846 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.6063 13.2768 2.63846 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -10.4546 13.2768 2.63846 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.577 13.2768 2.63846 0.55 protocols.relax.FastRelax: CMD: min -38.9754 13.3272 3.69986 0.55 protocols.relax.FastRelax: MRP: 0 -38.9754 -38.9754 13.3272 3.69986 protocols.relax.FastRelax: CMD: accept_to_best -38.9754 13.3272 3.69986 0.55 protocols.relax.FastRelax: CMD: endrepeat -38.9754 13.3272 3.69986 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -38.9754 13.3272 3.69986 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7674 13.3272 3.69986 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6168 13.3272 3.69986 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1553 13.3272 3.69986 0.02805 protocols.relax.FastRelax: CMD: min -69.4401 13.0198 3.89418 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4401 13.0198 3.89418 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.185 13.0198 3.89418 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.9448 13.0198 3.89418 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8618 13.0198 3.89418 0.154 protocols.relax.FastRelax: CMD: min -58.3036 13.226 3.76348 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.3036 13.226 3.76348 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.35 13.226 3.76348 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.3504 13.226 3.76348 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.4867 13.226 3.76348 0.31955 protocols.relax.FastRelax: CMD: min -47.2678 13.275 3.7528 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.2678 13.275 3.7528 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4207 13.275 3.7528 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.4335 13.275 3.7528 0.55 protocols.relax.FastRelax: CMD: min -40.7064 13.214 3.74041 0.55 protocols.relax.FastRelax: MRP: 1 -40.7064 -40.7064 13.214 3.74041 protocols.relax.FastRelax: CMD: accept_to_best -40.7064 13.214 3.74041 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.7064 13.214 3.74041 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.7064 13.214 3.74041 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7249 13.214 3.74041 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.5671 13.214 3.74041 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.0102 13.214 3.74041 0.02805 protocols.relax.FastRelax: CMD: min -83.6604 12.9667 4.09762 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.6604 12.9667 4.09762 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8116 12.9667 4.09762 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.99 12.9667 4.09762 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2218 12.9667 4.09762 0.154 protocols.relax.FastRelax: CMD: min -64.4132 13.119 3.93535 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.4132 13.119 3.93535 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.0872 13.119 3.93535 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.0877 13.119 3.93535 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9585 13.119 3.93535 0.31955 protocols.relax.FastRelax: CMD: min -50.7127 13.1892 3.91747 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.7127 13.1892 3.91747 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1738 13.1892 3.91747 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.1967 13.1892 3.91747 0.55 protocols.relax.FastRelax: CMD: min -48.0494 13.1018 3.89212 0.55 protocols.relax.FastRelax: MRP: 2 -48.0494 -48.0494 13.1018 3.89212 protocols.relax.FastRelax: CMD: accept_to_best -48.0494 13.1018 3.89212 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.0494 13.1018 3.89212 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.0494 13.1018 3.89212 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1264 13.1018 3.89212 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.3328 13.1018 3.89212 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.7373 13.1018 3.89212 0.02805 protocols.relax.FastRelax: CMD: min -91.454 12.814 4.19545 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.454 12.814 4.19545 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9101 12.814 4.19545 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.4789 12.814 4.19545 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.6739 12.814 4.19545 0.154 protocols.relax.FastRelax: CMD: min -70.8226 12.9995 4.02425 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.8226 12.9995 4.02425 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6428 12.9995 4.02425 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.8117 12.9995 4.02425 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.622 12.9995 4.02425 0.31955 protocols.relax.FastRelax: CMD: min -56.0316 13.0631 4.00278 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.0316 13.0631 4.00278 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.2744 13.0631 4.00278 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.2912 13.0631 4.00278 0.55 protocols.relax.FastRelax: CMD: min -49.6098 13.1075 3.94352 0.55 protocols.relax.FastRelax: MRP: 3 -49.6098 -49.6098 13.1075 3.94352 protocols.relax.FastRelax: CMD: accept_to_best -49.6098 13.1075 3.94352 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.6098 13.1075 3.94352 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.6098 13.1075 3.94352 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.704 13.1075 3.94352 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.1431 13.1075 3.94352 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.5365 13.1075 3.94352 0.02805 protocols.relax.FastRelax: CMD: min -85.5402 12.7901 4.28038 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.5402 12.7901 4.28038 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.5965 12.7901 4.28038 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.481 12.7901 4.28038 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.236 12.7901 4.28038 0.154 protocols.relax.FastRelax: CMD: min -70.0861 13.029 4.03376 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.0861 13.029 4.03376 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.8524 13.029 4.03376 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.5601 13.029 4.03376 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5675 13.029 4.03376 0.31955 protocols.relax.FastRelax: CMD: min -59.7876 13.0715 3.99604 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.7876 13.0715 3.99604 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1588 13.0715 3.99604 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.1978 13.0715 3.99604 0.55 protocols.relax.FastRelax: CMD: min -49.6226 13.1055 3.93469 0.55 protocols.relax.FastRelax: MRP: 4 -49.6226 -49.6226 13.1055 3.93469 protocols.relax.FastRelax: CMD: accept_to_best -49.6226 13.1055 3.93469 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.6226 13.1055 3.93469 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_22.pdb protocols.relax.FastRelax: CMD: repeat 10591.4 9.63319 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10591.4 9.63319 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1959.11 9.63319 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 9.58147 9.63319 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 11.2511 9.63319 0 0.02805 protocols.relax.FastRelax: CMD: min -57.6188 10.3586 2.56704 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -57.6188 10.3586 2.56704 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3868 10.3586 2.56704 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.5353 10.3586 2.56704 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.137 10.3586 2.56704 0.154 protocols.relax.FastRelax: CMD: min -46.8736 10.167 2.11533 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.8736 10.167 2.11533 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3063 10.167 2.11533 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 531 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.7187 10.167 2.11533 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.7179 10.167 2.11533 0.31955 protocols.relax.FastRelax: CMD: min -36.4373 10.2033 2.07148 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.4373 10.2033 2.07148 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.1799 10.2033 2.07148 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.2058 10.2033 2.07148 0.55 protocols.relax.FastRelax: CMD: min -33.1533 10.043 2.41652 0.55 protocols.relax.FastRelax: MRP: 0 -33.1533 -33.1533 10.043 2.41652 protocols.relax.FastRelax: CMD: accept_to_best -33.1533 10.043 2.41652 0.55 protocols.relax.FastRelax: CMD: endrepeat -33.1533 10.043 2.41652 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -33.1533 10.043 2.41652 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -54.1205 10.043 2.41652 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.4219 10.043 2.41652 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0945 10.043 2.41652 0.02805 protocols.relax.FastRelax: CMD: min -67.5301 9.88494 2.56253 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.5301 9.88494 2.56253 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.3237 9.88494 2.56253 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.0026 9.88494 2.56253 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2156 9.88494 2.56253 0.154 protocols.relax.FastRelax: CMD: min -52.1589 9.91718 2.48963 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.1589 9.91718 2.48963 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.9879 9.91718 2.48963 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.2376 9.91718 2.48963 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2882 9.91718 2.48963 0.31955 protocols.relax.FastRelax: CMD: min -42.0577 9.94986 2.42313 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -42.0577 9.94986 2.42313 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.9197 9.94986 2.42313 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9198 9.94986 2.42313 0.55 protocols.relax.FastRelax: CMD: min -34.3912 9.87669 2.79553 0.55 protocols.relax.FastRelax: MRP: 1 -34.3912 -34.3912 9.87669 2.79553 protocols.relax.FastRelax: CMD: accept_to_best -34.3912 9.87669 2.79553 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.3912 9.87669 2.79553 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -34.3912 9.87669 2.79553 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0339 9.87669 2.79553 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.3848 9.87669 2.79553 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -56.0684 9.87669 2.79553 0.02805 protocols.relax.FastRelax: CMD: min -69.3276 9.90239 2.97484 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3276 9.90239 2.97484 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9984 9.90239 2.97484 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4628 9.90239 2.97484 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7644 9.90239 2.97484 0.154 protocols.relax.FastRelax: CMD: min -54.4189 9.88677 2.83329 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -54.4189 9.88677 2.83329 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.2701 9.88677 2.83329 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.2701 9.88677 2.83329 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3121 9.88677 2.83329 0.31955 protocols.relax.FastRelax: CMD: min -43.6909 9.90319 2.79697 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.6909 9.90319 2.79697 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.9692 9.90319 2.79697 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.3432 9.90319 2.79697 0.55 protocols.relax.FastRelax: CMD: min -35.7901 9.78328 2.79711 0.55 protocols.relax.FastRelax: MRP: 2 -35.7901 -35.7901 9.78328 2.79711 protocols.relax.FastRelax: CMD: accept_to_best -35.7901 9.78328 2.79711 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.7901 9.78328 2.79711 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.7901 9.78328 2.79711 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -56.0747 9.78328 2.79711 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7339 9.78328 2.79711 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -57.2042 9.78328 2.79711 0.02805 protocols.relax.FastRelax: CMD: min -73.7399 9.94404 3.22324 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -73.7399 9.94404 3.22324 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1962 9.94404 3.22324 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.5596 9.94404 3.22324 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.4353 9.94404 3.22324 0.154 protocols.relax.FastRelax: CMD: min -56.7912 9.91929 3.18471 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.7912 9.91929 3.18471 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -44.0508 9.91929 3.18471 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.0731 9.91929 3.18471 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -43.062 9.91929 3.18471 0.31955 protocols.relax.FastRelax: CMD: min -46.5567 9.90684 3.15838 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -46.5567 9.90684 3.15838 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1813 9.90684 3.15838 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.1905 9.90684 3.15838 0.55 protocols.relax.FastRelax: CMD: min -39.4405 9.69702 3.08348 0.55 protocols.relax.FastRelax: MRP: 3 -39.4405 -39.4405 9.69702 3.08348 protocols.relax.FastRelax: CMD: accept_to_best -39.4405 9.69702 3.08348 0.55 protocols.relax.FastRelax: CMD: endrepeat -39.4405 9.69702 3.08348 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -39.4405 9.69702 3.08348 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.4532 9.69702 3.08348 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.8582 9.69702 3.08348 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -61.591 9.69702 3.08348 0.02805 protocols.relax.FastRelax: CMD: min -67.2536 9.68715 3.14878 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.2536 9.68715 3.14878 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1789 9.68715 3.14878 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.8813 9.68715 3.14878 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.3626 9.68715 3.14878 0.154 protocols.relax.FastRelax: CMD: min -59.3094 9.71329 3.18694 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.3094 9.71329 3.18694 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.6539 9.71329 3.18694 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.7274 9.71329 3.18694 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8113 9.71329 3.18694 0.31955 protocols.relax.FastRelax: CMD: min -49.3188 9.72252 3.12467 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.3188 9.72252 3.12467 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5584 9.72252 3.12467 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.5594 9.72252 3.12467 0.55 protocols.relax.FastRelax: CMD: min -39.7409 9.70051 3.1528 0.55 protocols.relax.FastRelax: MRP: 4 -39.7409 -39.7409 9.70051 3.1528 protocols.relax.FastRelax: CMD: accept_to_best -39.7409 9.70051 3.1528 0.55 protocols.relax.FastRelax: CMD: endrepeat -39.7409 9.70051 3.1528 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_43.pdb protocols.relax.FastRelax: CMD: repeat 11117 13.7713 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11117 13.7713 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1927.67 13.7713 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 16.6404 13.7713 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 21.3489 13.7713 0 0.02805 protocols.relax.FastRelax: CMD: min -77.1161 13.8501 3.35698 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.1161 13.8501 3.35698 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5687 13.8501 3.35698 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.8591 13.8501 3.35698 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7738 13.8501 3.35698 0.154 protocols.relax.FastRelax: CMD: min -65.2238 13.7396 3.92423 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.2238 13.7396 3.92423 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8339 13.7396 3.92423 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.269 13.7396 3.92423 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8843 13.7396 3.92423 0.31955 protocols.relax.FastRelax: CMD: min -53.6374 13.7917 3.47369 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.6374 13.7917 3.47369 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.743 13.7917 3.47369 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.7534 13.7917 3.47369 0.55 protocols.relax.FastRelax: CMD: min -57.5054 13.3847 4.2766 0.55 protocols.relax.FastRelax: MRP: 0 -57.5054 -57.5054 13.3847 4.2766 protocols.relax.FastRelax: CMD: accept_to_best -57.5054 13.3847 4.2766 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.5054 13.3847 4.2766 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.5054 13.3847 4.2766 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.4441 13.3847 4.2766 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.1318 13.3847 4.2766 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4512 13.3847 4.2766 0.02805 protocols.relax.FastRelax: CMD: min -108.732 13.3885 4.75681 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.732 13.3885 4.75681 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.2134 13.3885 4.75681 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3943 13.3885 4.75681 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.3447 13.3885 4.75681 0.154 protocols.relax.FastRelax: CMD: min -82.4277 13.4557 4.54234 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.4277 13.4557 4.54234 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4305 13.4557 4.54234 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.4919 13.4557 4.54234 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1526 13.4557 4.54234 0.31955 protocols.relax.FastRelax: CMD: min -67.3793 13.4622 4.5017 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.3793 13.4622 4.5017 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6741 13.4622 4.5017 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2668 13.4622 4.5017 0.55 protocols.relax.FastRelax: CMD: min -60.5037 13.3144 4.73297 0.55 protocols.relax.FastRelax: MRP: 1 -60.5037 -60.5037 13.3144 4.73297 protocols.relax.FastRelax: CMD: accept_to_best -60.5037 13.3144 4.73297 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.5037 13.3144 4.73297 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5037 13.3144 4.73297 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.1032 13.3144 4.73297 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.8933 13.3144 4.73297 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.2599 13.3144 4.73297 0.02805 protocols.relax.FastRelax: CMD: min -105.275 13.2867 4.76677 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.275 13.2867 4.76677 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5921 13.2867 4.76677 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.4945 13.2867 4.76677 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5682 13.2867 4.76677 0.154 protocols.relax.FastRelax: CMD: min -86.6923 13.3148 4.89202 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.6923 13.3148 4.89202 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6147 13.3148 4.89202 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.622 13.3148 4.89202 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.3551 13.3148 4.89202 0.31955 protocols.relax.FastRelax: CMD: min -72.554 13.362 4.84025 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.554 13.362 4.84025 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1223 13.362 4.84025 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1227 13.362 4.84025 0.55 protocols.relax.FastRelax: CMD: min -61.4727 13.31 4.86424 0.55 protocols.relax.FastRelax: MRP: 2 -61.4727 -61.4727 13.31 4.86424 protocols.relax.FastRelax: CMD: accept_to_best -61.4727 13.31 4.86424 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.4727 13.31 4.86424 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4727 13.31 4.86424 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.3177 13.31 4.86424 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 563 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5693 13.31 4.86424 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.1466 13.31 4.86424 0.02805 protocols.relax.FastRelax: CMD: min -113.015 13.2157 5.42987 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.015 13.2157 5.42987 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.2534 13.2157 5.42987 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.7518 13.2157 5.42987 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2642 13.2157 5.42987 0.154 protocols.relax.FastRelax: CMD: min -88.1867 13.3344 5.16108 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.1867 13.3344 5.16108 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9702 13.3344 5.16108 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.9868 13.3344 5.16108 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5514 13.3344 5.16108 0.31955 protocols.relax.FastRelax: CMD: min -72.486 13.4034 5.06975 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.486 13.4034 5.06975 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4236 13.4034 5.06975 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.4266 13.4034 5.06975 0.55 protocols.relax.FastRelax: CMD: min -61.4925 13.3062 4.86165 0.55 protocols.relax.FastRelax: MRP: 3 -61.4925 -61.4925 13.3062 4.86165 protocols.relax.FastRelax: CMD: accept_to_best -61.4925 13.3062 4.86165 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.4925 13.3062 4.86165 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4925 13.3062 4.86165 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.3787 13.3062 4.86165 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.6262 13.3062 4.86165 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.2027 13.3062 4.86165 0.02805 protocols.relax.FastRelax: CMD: min -110.972 13.1621 5.37404 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.972 13.1621 5.37404 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.1915 13.1621 5.37404 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4913 13.1621 5.37404 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.9061 13.1621 5.37404 0.154 protocols.relax.FastRelax: CMD: min -85.8699 13.3574 5.04661 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.8699 13.3574 5.04661 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.064 13.3574 5.04661 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.2853 13.3574 5.04661 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8113 13.3574 5.04661 0.31955 protocols.relax.FastRelax: CMD: min -73.6924 13.3642 4.92224 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6924 13.3642 4.92224 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.0303 13.3642 4.92224 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.0319 13.3642 4.92224 0.55 protocols.relax.FastRelax: CMD: min -61.4935 13.3097 4.85903 0.55 protocols.relax.FastRelax: MRP: 4 -61.4935 -61.4935 13.3097 4.85903 protocols.relax.FastRelax: CMD: accept_to_best -61.4935 13.3097 4.85903 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.4935 13.3097 4.85903 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_34.pdb protocols.relax.FastRelax: CMD: repeat 11602.3 16.1147 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11602.3 16.1147 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1943.77 16.1147 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 42.5591 16.1147 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 50.6129 16.1147 0 0.02805 protocols.relax.FastRelax: CMD: min -41.6119 14.8915 4.68684 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.6119 14.8915 4.68684 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -3.86268 14.8915 4.68684 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.8644 14.8915 4.68684 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -9.48649 14.8915 4.68684 0.154 protocols.relax.FastRelax: CMD: min -51.3739 13.8182 4.96733 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -51.3739 13.8182 4.96733 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1943 13.8182 4.96733 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.348 13.8182 4.96733 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.3149 13.8182 4.96733 0.31955 protocols.relax.FastRelax: CMD: min -37.7772 13.8051 4.96354 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.7772 13.8051 4.96354 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5195 13.8051 4.96354 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.7176 13.8051 4.96354 0.55 protocols.relax.FastRelax: CMD: min -52.245 15.4714 7.04195 0.55 protocols.relax.FastRelax: MRP: 0 -52.245 -52.245 15.4714 7.04195 protocols.relax.FastRelax: CMD: accept_to_best -52.245 15.4714 7.04195 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.245 15.4714 7.04195 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.245 15.4714 7.04195 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2345 15.4714 7.04195 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 618 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.7932 15.4714 7.04195 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4189 15.4714 7.04195 0.02805 protocols.relax.FastRelax: CMD: min -92.307 15.369 6.94362 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.307 15.369 6.94362 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4586 15.369 6.94362 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.1431 15.369 6.94362 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.312 15.369 6.94362 0.154 protocols.relax.FastRelax: CMD: min -72.4427 15.3678 6.94654 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.4427 15.3678 6.94654 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6208 15.3678 6.94654 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 549 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.8727 15.3678 6.94654 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6574 15.3678 6.94654 0.31955 protocols.relax.FastRelax: CMD: min -63.4085 15.387 6.94915 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.4085 15.387 6.94915 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1968 15.387 6.94915 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.1986 15.387 6.94915 0.55 protocols.relax.FastRelax: CMD: min -55.0043 15.4216 7.06276 0.55 protocols.relax.FastRelax: MRP: 1 -55.0043 -55.0043 15.4216 7.06276 protocols.relax.FastRelax: CMD: accept_to_best -55.0043 15.4216 7.06276 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.0043 15.4216 7.06276 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.0043 15.4216 7.06276 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7725 15.4216 7.06276 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.2027 15.4216 7.06276 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.9044 15.4216 7.06276 0.02805 protocols.relax.FastRelax: CMD: min -90.4316 15.4135 6.94967 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.4316 15.4135 6.94967 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.2588 15.4135 6.94967 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.4547 15.4135 6.94967 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8585 15.4135 6.94967 0.154 protocols.relax.FastRelax: CMD: min -73.8404 15.3926 7.01981 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.8404 15.3926 7.01981 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.332 15.3926 7.01981 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.3348 15.3926 7.01981 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3489 15.3926 7.01981 0.31955 protocols.relax.FastRelax: CMD: min -62.4423 15.3737 7.11036 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.4423 15.3737 7.11036 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7059 15.3737 7.11036 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.7142 15.3737 7.11036 0.55 protocols.relax.FastRelax: CMD: min -55.3341 15.5008 7.79702 0.55 protocols.relax.FastRelax: MRP: 2 -55.3341 -55.3341 15.5008 7.79702 protocols.relax.FastRelax: CMD: accept_to_best -55.3341 15.5008 7.79702 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.3341 15.5008 7.79702 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3341 15.5008 7.79702 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6697 15.5008 7.79702 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 550 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.9082 15.5008 7.79702 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0356 15.5008 7.79702 0.02805 protocols.relax.FastRelax: CMD: min -92.5215 15.4337 7.47608 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.5215 15.4337 7.47608 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6066 15.4337 7.47608 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.0359 15.4337 7.47608 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2316 15.4337 7.47608 0.154 protocols.relax.FastRelax: CMD: min -75.7736 15.4079 7.46049 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7736 15.4079 7.46049 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2992 15.4079 7.46049 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.645 15.4079 7.46049 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6344 15.4079 7.46049 0.31955 protocols.relax.FastRelax: CMD: min -64.0991 15.3813 7.52477 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.0991 15.3813 7.52477 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1919 15.3813 7.52477 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.2 15.3813 7.52477 0.55 protocols.relax.FastRelax: CMD: min -55.4182 15.5105 8.24617 0.55 protocols.relax.FastRelax: MRP: 3 -55.4182 -55.4182 15.5105 8.24617 protocols.relax.FastRelax: CMD: accept_to_best -55.4182 15.5105 8.24617 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.4182 15.5105 8.24617 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.4182 15.5105 8.24617 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6888 15.5105 8.24617 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.8117 15.5105 8.24617 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9249 15.5105 8.24617 0.02805 protocols.relax.FastRelax: CMD: min -93.4378 15.4013 7.92508 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.4378 15.4013 7.92508 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8849 15.4013 7.92508 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.6994 15.4013 7.92508 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.7853 15.4013 7.92508 0.154 protocols.relax.FastRelax: CMD: min -73.7461 15.4006 7.90192 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.7461 15.4006 7.90192 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9864 15.4006 7.90192 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.3015 15.4006 7.90192 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2611 15.4006 7.90192 0.31955 protocols.relax.FastRelax: CMD: min -62.0565 15.4123 7.8886 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.0565 15.4123 7.8886 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.6076 15.4123 7.8886 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6083 15.4123 7.8886 0.55 protocols.relax.FastRelax: CMD: min -55.4536 15.5414 8.3898 0.55 protocols.relax.FastRelax: MRP: 4 -55.4536 -55.4536 15.5414 8.3898 protocols.relax.FastRelax: CMD: accept_to_best -55.4536 15.5414 8.3898 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.4536 15.5414 8.3898 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_26.pdb protocols.relax.FastRelax: CMD: repeat 6533.5 11.5402 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 6533.5 11.5402 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1749.13 11.5402 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 612 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 52.7696 11.5402 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 64.7175 11.5402 0 0.02805 protocols.relax.FastRelax: CMD: min -53.6641 11.8089 1.75008 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.6641 11.8089 1.75008 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 3.77632 11.8089 1.75008 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 714 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.52085 11.8089 1.75008 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -0.128292 11.8089 1.75008 0.154 protocols.relax.FastRelax: CMD: min -38.1973 11.7273 1.64156 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.1973 11.7273 1.64156 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.0407 11.7273 1.64156 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.1027 11.7273 1.64156 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.674 11.7273 1.64156 0.31955 protocols.relax.FastRelax: CMD: min -22.2117 11.6965 1.63187 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.2117 11.6965 1.63187 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -1.98171 11.6965 1.63187 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.14774 11.6965 1.63187 0.55 protocols.relax.FastRelax: CMD: min -23.8081 11.4149 1.87804 0.55 protocols.relax.FastRelax: MRP: 0 -23.8081 -23.8081 11.4149 1.87804 protocols.relax.FastRelax: CMD: accept_to_best -23.8081 11.4149 1.87804 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.8081 11.4149 1.87804 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -23.8081 11.4149 1.87804 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8271 11.4149 1.87804 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 685 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.4072 11.4149 1.87804 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0019 11.4149 1.87804 0.02805 protocols.relax.FastRelax: CMD: min -82.5535 11.4238 2.03716 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.5535 11.4238 2.03716 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4567 11.4238 2.03716 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 699 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.4757 11.4238 2.03716 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5033 11.4238 2.03716 0.154 protocols.relax.FastRelax: CMD: min -58.3037 11.4594 1.83976 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.3037 11.4594 1.83976 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0599 11.4594 1.83976 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 651 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.1023 11.4594 1.83976 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.6652 11.4594 1.83976 0.31955 protocols.relax.FastRelax: CMD: min -41.9736 11.4717 1.79551 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9736 11.4717 1.79551 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6995 11.4717 1.79551 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 646 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.884 11.4717 1.79551 0.55 protocols.relax.FastRelax: CMD: min -39.1915 11.8247 2.55324 0.55 protocols.relax.FastRelax: MRP: 1 -39.1915 -39.1915 11.8247 2.55324 protocols.relax.FastRelax: CMD: accept_to_best -39.1915 11.8247 2.55324 0.55 protocols.relax.FastRelax: CMD: endrepeat -39.1915 11.8247 2.55324 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -39.1915 11.8247 2.55324 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.4093 11.8247 2.55324 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 665 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.6397 11.8247 2.55324 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.1867 11.8247 2.55324 0.02805 protocols.relax.FastRelax: CMD: min -98.7092 11.7656 2.99725 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.7092 11.7656 2.99725 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.4143 11.7656 2.99725 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 644 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.4446 11.7656 2.99725 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.7747 11.7656 2.99725 0.154 protocols.relax.FastRelax: CMD: min -59.9635 11.7547 2.65171 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.9635 11.7547 2.65171 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6847 11.7547 2.65171 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 649 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.6233 11.7547 2.65171 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.5661 11.7547 2.65171 0.31955 protocols.relax.FastRelax: CMD: min -43.2901 11.8002 2.64794 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.2901 11.8002 2.64794 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2462 11.8002 2.64794 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 604 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.6609 11.8002 2.64794 0.55 protocols.relax.FastRelax: CMD: min -43.4286 11.8086 2.70423 0.55 protocols.relax.FastRelax: MRP: 2 -43.4286 -43.4286 11.8086 2.70423 protocols.relax.FastRelax: CMD: accept_to_best -43.4286 11.8086 2.70423 0.55 protocols.relax.FastRelax: CMD: endrepeat -43.4286 11.8086 2.70423 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4286 11.8086 2.70423 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.7076 11.8086 2.70423 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 682 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.5159 11.8086 2.70423 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0743 11.8086 2.70423 0.02805 protocols.relax.FastRelax: CMD: min -101.198 11.7193 3.05254 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.198 11.7193 3.05254 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.0313 11.7193 3.05254 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 666 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.8432 11.7193 3.05254 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.813 11.7193 3.05254 0.154 protocols.relax.FastRelax: CMD: min -72.1575 11.7618 2.88942 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.1575 11.7618 2.88942 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.1894 11.7618 2.88942 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 647 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.6585 11.7618 2.88942 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9109 11.7618 2.88942 0.31955 protocols.relax.FastRelax: CMD: min -55.9714 11.7737 2.86657 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9714 11.7737 2.86657 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.1456 11.7737 2.86657 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2028 11.7737 2.86657 0.55 protocols.relax.FastRelax: CMD: min -45.9016 11.7421 2.85236 0.55 protocols.relax.FastRelax: MRP: 3 -45.9016 -45.9016 11.7421 2.85236 protocols.relax.FastRelax: CMD: accept_to_best -45.9016 11.7421 2.85236 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.9016 11.7421 2.85236 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.9016 11.7421 2.85236 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.2482 11.7421 2.85236 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 683 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.2273 11.7421 2.85236 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7951 11.7421 2.85236 0.02805 protocols.relax.FastRelax: CMD: min -94.1356 11.7577 3.0118 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.1356 11.7577 3.0118 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2136 11.7577 3.0118 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 663 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.4744 11.7577 3.0118 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3128 11.7577 3.0118 0.154 protocols.relax.FastRelax: CMD: min -74.7235 11.7169 2.90384 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7235 11.7169 2.90384 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.408 11.7169 2.90384 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 634 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.5938 11.7169 2.90384 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.1451 11.7169 2.90384 0.31955 protocols.relax.FastRelax: CMD: min -58.0923 11.714 2.85849 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.0923 11.714 2.85849 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9391 11.714 2.85849 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 634 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.556 11.714 2.85849 0.55 protocols.relax.FastRelax: CMD: min -47.1402 11.7312 2.8275 0.55 protocols.relax.FastRelax: MRP: 4 -47.1402 -47.1402 11.7312 2.8275 protocols.relax.FastRelax: CMD: accept_to_best -47.1402 11.7312 2.8275 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.1402 11.7312 2.8275 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_2.pdb protocols.relax.FastRelax: CMD: repeat 12967.4 16.1767 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12967.4 16.1767 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1985.31 16.1767 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 109.118 16.1767 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 149.526 16.1767 0 0.02805 protocols.relax.FastRelax: CMD: min -9.73792 14.4805 3.77716 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -9.73792 14.4805 3.77716 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 343.547 14.4805 3.77716 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 61.8463 14.4805 3.77716 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 70.1652 14.4805 3.77716 0.154 protocols.relax.FastRelax: CMD: min -59.8554 14.5747 3.99927 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.8554 14.5747 3.99927 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1505 14.5747 3.99927 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.4241 14.5747 3.99927 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -41.8105 14.5747 3.99927 0.31955 protocols.relax.FastRelax: CMD: min -49.1691 14.578 3.98624 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.1691 14.578 3.98624 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.3328 14.578 3.98624 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6766 14.578 3.98624 0.55 protocols.relax.FastRelax: CMD: min -61.7183 14.1665 5.00152 0.55 protocols.relax.FastRelax: MRP: 0 -61.7183 -61.7183 14.1665 5.00152 protocols.relax.FastRelax: CMD: accept_to_best -61.7183 14.1665 5.00152 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.7183 14.1665 5.00152 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.7183 14.1665 5.00152 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.8729 14.1665 5.00152 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.5618 14.1665 5.00152 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.0524 14.1665 5.00152 0.02805 protocols.relax.FastRelax: CMD: min -105.477 14.2021 5.06448 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.477 14.2021 5.06448 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.6957 14.2021 5.06448 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.9634 14.2021 5.06448 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.1404 14.2021 5.06448 0.154 protocols.relax.FastRelax: CMD: min -85.7992 14.1632 5.0306 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.7992 14.1632 5.0306 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2797 14.1632 5.0306 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.3684 14.1632 5.0306 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.2235 14.1632 5.0306 0.31955 protocols.relax.FastRelax: CMD: min -73.5515 14.1899 5.01036 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.5515 14.1899 5.01036 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.9435 14.1899 5.01036 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.7824 14.1899 5.01036 0.55 protocols.relax.FastRelax: CMD: min -71.7419 13.5278 5.59003 0.55 protocols.relax.FastRelax: MRP: 1 -71.7419 -71.7419 13.5278 5.59003 protocols.relax.FastRelax: CMD: accept_to_best -71.7419 13.5278 5.59003 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.7419 13.5278 5.59003 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.7419 13.5278 5.59003 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.725 13.5278 5.59003 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 661 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.7612 13.5278 5.59003 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -98.4292 13.5278 5.59003 0.02805 protocols.relax.FastRelax: CMD: min -118.478 13.1318 6.12001 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.478 13.1318 6.12001 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4061 13.1318 6.12001 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 691 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.9005 13.1318 6.12001 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.2378 13.1318 6.12001 0.154 protocols.relax.FastRelax: CMD: min -95.9039 13.2171 5.93625 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.9039 13.2171 5.93625 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1081 13.2171 5.93625 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 688 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.3346 13.2171 5.93625 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9406 13.2171 5.93625 0.31955 protocols.relax.FastRelax: CMD: min -83.4217 13.3603 5.75736 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.4217 13.3603 5.75736 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8787 13.3603 5.75736 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.9263 13.3603 5.75736 0.55 protocols.relax.FastRelax: CMD: min -75.4405 13.1664 5.9941 0.55 protocols.relax.FastRelax: MRP: 2 -75.4405 -75.4405 13.1664 5.9941 protocols.relax.FastRelax: CMD: accept_to_best -75.4405 13.1664 5.9941 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.4405 13.1664 5.9941 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.4405 13.1664 5.9941 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.838 13.1664 5.9941 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 658 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.78 13.1664 5.9941 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.414 13.1664 5.9941 0.02805 protocols.relax.FastRelax: CMD: min -122.119 12.9018 6.364 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.119 12.9018 6.364 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9849 12.9018 6.364 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 724 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.2001 12.9018 6.364 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0334 12.9018 6.364 0.154 protocols.relax.FastRelax: CMD: min -100.142 12.9468 6.26113 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.142 12.9468 6.26113 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.413 12.9468 6.26113 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 714 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.5156 12.9468 6.26113 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.136 12.9468 6.26113 0.31955 protocols.relax.FastRelax: CMD: min -85.9525 13.0504 6.12982 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9525 13.0504 6.12982 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.6691 13.0504 6.12982 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 664 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.7218 13.0504 6.12982 0.55 protocols.relax.FastRelax: CMD: min -78.461 13.0363 6.12003 0.55 protocols.relax.FastRelax: MRP: 3 -78.461 -78.461 13.0363 6.12003 protocols.relax.FastRelax: CMD: accept_to_best -78.461 13.0363 6.12003 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.461 13.0363 6.12003 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -78.461 13.0363 6.12003 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -106.696 13.0363 6.12003 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 777 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.858 13.0363 6.12003 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.196 13.0363 6.12003 0.02805 protocols.relax.FastRelax: CMD: min -129.693 12.8832 6.46175 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.693 12.8832 6.46175 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.3938 12.8832 6.46175 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 743 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.6331 12.8832 6.46175 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2594 12.8832 6.46175 0.154 protocols.relax.FastRelax: CMD: min -104.879 12.8818 6.35407 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.879 12.8818 6.35407 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6561 12.8818 6.35407 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 702 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.5655 12.8818 6.35407 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -86.1173 12.8818 6.35407 0.31955 protocols.relax.FastRelax: CMD: min -90.9111 12.9159 6.2901 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.9111 12.9159 6.2901 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9325 12.9159 6.2901 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 692 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.0561 12.9159 6.2901 0.55 protocols.relax.FastRelax: CMD: min -81.9433 13.0131 6.13402 0.55 protocols.relax.FastRelax: MRP: 4 -81.9433 -81.9433 13.0131 6.13402 protocols.relax.FastRelax: CMD: accept_to_best -81.9433 13.0131 6.13402 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.9433 13.0131 6.13402 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_14.pdb protocols.relax.FastRelax: CMD: repeat 9969.3 15.8436 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9969.3 15.8436 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1910.04 15.8436 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 600 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 42.8446 15.8436 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 56.1376 15.8436 0 0.02805 protocols.relax.FastRelax: CMD: min -63.6187 14.4866 4.19284 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.6187 14.4866 4.19284 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 33.3512 14.4866 4.19284 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 615 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.51489 14.4866 4.19284 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 6.02813 14.4866 4.19284 0.154 protocols.relax.FastRelax: CMD: min -46.4391 14.5103 5.05676 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.4391 14.5103 5.05676 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.3772 14.5103 5.05676 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 588 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.2923 14.5103 5.05676 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5643 14.5103 5.05676 0.31955 protocols.relax.FastRelax: CMD: min -43.1369 14.9479 4.66381 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.1369 14.9479 4.66381 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.5279 14.9479 4.66381 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.3204 14.9479 4.66381 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.90735e-06 Deriv= -0.072473 Finite Diff= 0.10169 protocols.relax.FastRelax: CMD: min -34.6852 15.3432 4.94934 0.55 protocols.relax.FastRelax: MRP: 0 -34.6852 -34.6852 15.3432 4.94934 protocols.relax.FastRelax: CMD: accept_to_best -34.6852 15.3432 4.94934 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.6852 15.3432 4.94934 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -34.6852 15.3432 4.94934 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8634 15.3432 4.94934 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.2237 15.3432 4.94934 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6039 15.3432 4.94934 0.02805 protocols.relax.FastRelax: CMD: min -96.2839 14.9979 5.29691 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.2839 14.9979 5.29691 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8769 14.9979 5.29691 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.3196 14.9979 5.29691 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9719 14.9979 5.29691 0.154 protocols.relax.FastRelax: CMD: min -68.6891 15.0996 5.18621 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6891 15.0996 5.18621 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.0531 15.0996 5.18621 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.2458 15.0996 5.18621 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.742 15.0996 5.18621 0.31955 protocols.relax.FastRelax: CMD: min -54.0107 15.1642 5.12211 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.0107 15.1642 5.12211 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.6574 15.1642 5.12211 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.7359 15.1642 5.12211 0.55 protocols.relax.FastRelax: CMD: min -52.9863 15.2849 5.22931 0.55 protocols.relax.FastRelax: MRP: 1 -52.9863 -52.9863 15.2849 5.22931 protocols.relax.FastRelax: CMD: accept_to_best -52.9863 15.2849 5.22931 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.9863 15.2849 5.22931 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.9863 15.2849 5.22931 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.969 15.2849 5.22931 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 638 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.9126 15.2849 5.22931 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.337 15.2849 5.22931 0.02805 protocols.relax.FastRelax: CMD: min -110.195 14.9929 5.44522 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.195 14.9929 5.44522 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2711 14.9929 5.44522 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 595 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7298 14.9929 5.44522 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.1333 14.9929 5.44522 0.154 protocols.relax.FastRelax: CMD: min -82.8481 15.1557 5.30219 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8481 15.1557 5.30219 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3046 15.1557 5.30219 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.5483 15.1557 5.30219 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.966 15.1557 5.30219 0.31955 protocols.relax.FastRelax: CMD: min -65.7314 15.2262 5.23505 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.7314 15.2262 5.23505 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.945 15.2262 5.23505 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 549 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.7354 15.2262 5.23505 0.55 protocols.relax.FastRelax: CMD: min -59.7105 15.1741 5.36306 0.55 protocols.relax.FastRelax: MRP: 2 -59.7105 -59.7105 15.1741 5.36306 protocols.relax.FastRelax: CMD: accept_to_best -59.7105 15.1741 5.36306 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.7105 15.1741 5.36306 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.7105 15.1741 5.36306 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.9544 15.1741 5.36306 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 634 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.8522 15.1741 5.36306 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.1679 15.1741 5.36306 0.02805 protocols.relax.FastRelax: CMD: min -115.412 14.8354 5.63748 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.412 14.8354 5.63748 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7092 14.8354 5.63748 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.8288 14.8354 5.63748 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.8509 14.8354 5.63748 0.154 protocols.relax.FastRelax: CMD: min -86.682 15.0642 5.5056 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.682 15.0642 5.5056 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8102 15.0642 5.5056 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.4405 15.0642 5.5056 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8303 15.0642 5.5056 0.31955 protocols.relax.FastRelax: CMD: min -71.6111 15.0972 5.4492 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.6111 15.0972 5.4492 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.879 15.0972 5.4492 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.8952 15.0972 5.4492 0.55 protocols.relax.FastRelax: CMD: min -59.7361 15.1586 5.37214 0.55 protocols.relax.FastRelax: MRP: 3 -59.7361 -59.7361 15.1586 5.37214 protocols.relax.FastRelax: CMD: accept_to_best -59.7361 15.1586 5.37214 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.7361 15.1586 5.37214 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.7361 15.1586 5.37214 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.0678 15.1586 5.37214 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 633 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.981 15.1586 5.37214 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.296 15.1586 5.37214 0.02805 protocols.relax.FastRelax: CMD: min -115.645 14.8236 5.65845 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.645 14.8236 5.65845 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.6713 14.8236 5.65845 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 582 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.1091 14.8236 5.65845 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0501 14.8236 5.65845 0.154 protocols.relax.FastRelax: CMD: min -87.1836 15.0649 5.51105 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.1836 15.0649 5.51105 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.3689 15.0649 5.51105 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.5381 15.0649 5.51105 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -66.9919 15.0649 5.51105 0.31955 protocols.relax.FastRelax: CMD: min -71.2857 15.0888 5.45227 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.2857 15.0888 5.45227 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9389 15.0888 5.45227 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.975 15.0888 5.45227 0.55 protocols.relax.FastRelax: CMD: min -59.7434 15.1598 5.37245 0.55 protocols.relax.FastRelax: MRP: 4 -59.7434 -59.7434 15.1598 5.37245 protocols.relax.FastRelax: CMD: accept_to_best -59.7434 15.1598 5.37245 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.7434 15.1598 5.37245 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_41.pdb protocols.relax.FastRelax: CMD: repeat 12306.7 16.0122 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12306.7 16.0122 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1963 16.0122 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 35.7349 16.0122 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 48.3365 16.0122 0 0.02805 protocols.relax.FastRelax: CMD: min -63.5857 14.8223 3.89268 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5857 14.8223 3.89268 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -12.3714 14.8223 3.89268 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.616 14.8223 3.89268 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3003 14.8223 3.89268 0.154 protocols.relax.FastRelax: CMD: min -49.0483 14.0831 4.60813 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.0483 14.0831 4.60813 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4347 14.0831 4.60813 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.1454 14.0831 4.60813 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8535 14.0831 4.60813 0.31955 protocols.relax.FastRelax: CMD: min -49.8122 13.9892 4.43779 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.8122 13.9892 4.43779 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.0532 13.9892 4.43779 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5922 13.9892 4.43779 0.55 protocols.relax.FastRelax: CMD: min -55.8449 14.1855 5.46445 0.55 protocols.relax.FastRelax: MRP: 0 -55.8449 -55.8449 14.1855 5.46445 protocols.relax.FastRelax: CMD: accept_to_best -55.8449 14.1855 5.46445 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.8449 14.1855 5.46445 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8449 14.1855 5.46445 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4543 14.1855 5.46445 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.051 14.1855 5.46445 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7232 14.1855 5.46445 0.02805 protocols.relax.FastRelax: CMD: min -90.384 14.0171 6.13467 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.384 14.0171 6.13467 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.0199 14.0171 6.13467 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.5266 14.0171 6.13467 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.2667 14.0171 6.13467 0.154 protocols.relax.FastRelax: CMD: min -78.3396 13.7856 6.2153 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.3396 13.7856 6.2153 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6742 13.7856 6.2153 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.804 13.7856 6.2153 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7325 13.7856 6.2153 0.31955 protocols.relax.FastRelax: CMD: min -67.7592 13.8943 6.04365 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.7592 13.8943 6.04365 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3381 13.8943 6.04365 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.3382 13.8943 6.04365 0.55 protocols.relax.FastRelax: CMD: min -61.8845 14.0702 5.55922 0.55 protocols.relax.FastRelax: MRP: 1 -61.8845 -61.8845 14.0702 5.55922 protocols.relax.FastRelax: CMD: accept_to_best -61.8845 14.0702 5.55922 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.8845 14.0702 5.55922 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.8845 14.0702 5.55922 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.4683 14.0702 5.55922 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.7833 14.0702 5.55922 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4753 14.0702 5.55922 0.02805 protocols.relax.FastRelax: CMD: min -106.828 13.5459 6.76107 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.828 13.5459 6.76107 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4205 13.5459 6.76107 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7198 13.5459 6.76107 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8771 13.5459 6.76107 0.154 protocols.relax.FastRelax: CMD: min -83.6276 14.0656 5.8932 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.6276 14.0656 5.8932 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6435 14.0656 5.8932 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 531 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.7573 14.0656 5.8932 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.422 14.0656 5.8932 0.31955 protocols.relax.FastRelax: CMD: min -71.3534 14.1077 5.71886 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.3534 14.1077 5.71886 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.463 14.1077 5.71886 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.4639 14.1077 5.71886 0.55 protocols.relax.FastRelax: CMD: min -62.4449 14.0086 5.63855 0.55 protocols.relax.FastRelax: MRP: 2 -62.4449 -62.4449 14.0086 5.63855 protocols.relax.FastRelax: CMD: accept_to_best -62.4449 14.0086 5.63855 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.4449 14.0086 5.63855 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.4449 14.0086 5.63855 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9213 14.0086 5.63855 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.9815 14.0086 5.63855 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6674 14.0086 5.63855 0.02805 protocols.relax.FastRelax: CMD: min -106.13 13.5593 6.76734 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.13 13.5593 6.76734 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2485 13.5593 6.76734 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.7062 13.5593 6.76734 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.4433 13.5593 6.76734 0.154 protocols.relax.FastRelax: CMD: min -85.6783 13.8246 6.04989 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.6783 13.8246 6.04989 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0361 13.8246 6.04989 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.4448 13.8246 6.04989 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2169 13.8246 6.04989 0.31955 protocols.relax.FastRelax: CMD: min -73.329 13.9579 5.84163 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.329 13.9579 5.84163 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.9639 13.9579 5.84163 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.4133 13.9579 5.84163 0.55 protocols.relax.FastRelax: CMD: min -64.6751 13.6878 6.60366 0.55 protocols.relax.FastRelax: MRP: 3 -64.6751 -64.6751 13.6878 6.60366 protocols.relax.FastRelax: CMD: accept_to_best -64.6751 13.6878 6.60366 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.6751 13.6878 6.60366 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.6751 13.6878 6.60366 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6399 13.6878 6.60366 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.6552 13.6878 6.60366 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.5253 13.6878 6.60366 0.02805 protocols.relax.FastRelax: CMD: min -106.956 13.6503 7.33916 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.956 13.6503 7.33916 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2984 13.6503 7.33916 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.8862 13.6503 7.33916 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.1009 13.6503 7.33916 0.154 protocols.relax.FastRelax: CMD: min -83.0084 13.6228 6.95281 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.0084 13.6228 6.95281 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0409 13.6228 6.95281 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.0671 13.6228 6.95281 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7293 13.6228 6.95281 0.31955 protocols.relax.FastRelax: CMD: min -69.6433 13.656 6.74107 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.6433 13.656 6.74107 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.0998 13.656 6.74107 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.1409 13.656 6.74107 0.55 protocols.relax.FastRelax: CMD: min -63.7501 13.532 6.57425 0.55 protocols.relax.FastRelax: MRP: 4 -63.7501 -64.6751 13.6878 6.60366 protocols.relax.FastRelax: CMD: accept_to_best -63.7501 13.532 6.57425 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.7501 13.532 6.57425 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_28.pdb protocols.relax.FastRelax: CMD: repeat 13244.8 9.64343 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13244.8 9.64343 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1942.52 9.64343 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 107.024 9.64343 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 143.831 9.64343 0 0.02805 protocols.relax.FastRelax: CMD: min -67.4562 9.91413 2.24605 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.4562 9.91413 2.24605 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 1.10225 9.91413 2.24605 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 585 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.81444 9.91413 2.24605 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -2.86362 9.91413 2.24605 0.154 protocols.relax.FastRelax: CMD: min -49.1846 9.89769 2.64516 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.1846 9.89769 2.64516 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.3872 9.89769 2.64516 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 588 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.0061 9.89769 2.64516 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.396 9.89769 2.64516 0.31955 protocols.relax.FastRelax: CMD: min -35.2371 9.67977 2.67343 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.2371 9.67977 2.67343 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.86 9.67977 2.67343 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.8655 9.67977 2.67343 0.55 protocols.relax.FastRelax: CMD: min -36.7046 9.95514 3.85954 0.55 protocols.relax.FastRelax: MRP: 0 -36.7046 -36.7046 9.95514 3.85954 protocols.relax.FastRelax: CMD: accept_to_best -36.7046 9.95514 3.85954 0.55 protocols.relax.FastRelax: CMD: endrepeat -36.7046 9.95514 3.85954 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -36.7046 9.95514 3.85954 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.578 9.95514 3.85954 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.1298 9.95514 3.85954 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7191 9.95514 3.85954 0.02805 protocols.relax.FastRelax: CMD: min -81.3112 10.3089 4.25137 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3112 10.3089 4.25137 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7327 10.3089 4.25137 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 600 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.7813 10.3089 4.25137 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.1154 10.3089 4.25137 0.154 protocols.relax.FastRelax: CMD: min -69.7274 10.141 3.95254 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.7274 10.141 3.95254 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.6914 10.141 3.95254 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.982 10.141 3.95254 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6517 10.141 3.95254 0.31955 protocols.relax.FastRelax: CMD: min -55.5208 10.1226 3.95104 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.5208 10.1226 3.95104 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.4488 10.1226 3.95104 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 585 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.5067 10.1226 3.95104 0.55 protocols.relax.FastRelax: CMD: min -49.302 10.1296 3.76118 0.55 protocols.relax.FastRelax: MRP: 1 -49.302 -49.302 10.1296 3.76118 protocols.relax.FastRelax: CMD: accept_to_best -49.302 10.1296 3.76118 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.302 10.1296 3.76118 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.302 10.1296 3.76118 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.8186 10.1296 3.76118 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 598 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8748 10.1296 3.76118 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3885 10.1296 3.76118 0.02805 protocols.relax.FastRelax: CMD: min -95.0989 10.3268 3.97898 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.0989 10.3268 3.97898 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6789 10.3268 3.97898 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1064 10.3268 3.97898 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5774 10.3268 3.97898 0.154 protocols.relax.FastRelax: CMD: min -74.1016 10.1988 3.86185 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.1016 10.1988 3.86185 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5709 10.1988 3.86185 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.5722 10.1988 3.86185 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.2689 10.1988 3.86185 0.31955 protocols.relax.FastRelax: CMD: min -60.5979 10.1531 3.81457 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5979 10.1531 3.81457 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8268 10.1531 3.81457 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.9696 10.1531 3.81457 0.55 protocols.relax.FastRelax: CMD: min -50.9656 10.0938 3.75433 0.55 protocols.relax.FastRelax: MRP: 2 -50.9656 -50.9656 10.0938 3.75433 protocols.relax.FastRelax: CMD: accept_to_best -50.9656 10.0938 3.75433 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.9656 10.0938 3.75433 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9656 10.0938 3.75433 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7232 10.0938 3.75433 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.3678 10.0938 3.75433 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.911 10.0938 3.75433 0.02805 protocols.relax.FastRelax: CMD: min -97.8933 10.3222 3.97553 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.8933 10.3222 3.97553 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.002 10.3222 3.97553 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 597 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.761 10.3222 3.97553 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.7103 10.3222 3.97553 0.154 protocols.relax.FastRelax: CMD: min -74.0028 10.1793 3.85867 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.0028 10.1793 3.85867 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.7541 10.1793 3.85867 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.1899 10.1793 3.85867 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0007 10.1793 3.85867 0.31955 protocols.relax.FastRelax: CMD: min -60.2022 10.1289 3.83508 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.2022 10.1289 3.83508 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.0927 10.1289 3.83508 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.2907 10.1289 3.83508 0.55 protocols.relax.FastRelax: CMD: min -50.9573 10.0904 3.76876 0.55 protocols.relax.FastRelax: MRP: 3 -50.9573 -50.9656 10.0938 3.75433 protocols.relax.FastRelax: CMD: accept_to_best -50.9573 10.0904 3.76876 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.9573 10.0904 3.76876 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9573 10.0904 3.76876 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7603 10.0904 3.76876 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.4423 10.0904 3.76876 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9983 10.0904 3.76876 0.02805 protocols.relax.FastRelax: CMD: min -98.0223 10.2997 3.99044 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.0223 10.2997 3.99044 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1204 10.2997 3.99044 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.4867 10.2997 3.99044 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6177 10.2997 3.99044 0.154 protocols.relax.FastRelax: CMD: min -74.4072 10.1576 3.88976 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.4072 10.1576 3.88976 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7149 10.1576 3.88976 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7516 10.1576 3.88976 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4454 10.1576 3.88976 0.31955 protocols.relax.FastRelax: CMD: min -60.5942 10.1408 3.81304 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5942 10.1408 3.81304 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.179 10.1408 3.81304 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4256 10.1408 3.81304 0.55 protocols.relax.FastRelax: CMD: min -50.9272 10.0913 3.7778 0.55 protocols.relax.FastRelax: MRP: 4 -50.9272 -50.9656 10.0938 3.75433 protocols.relax.FastRelax: CMD: accept_to_best -50.9272 10.0913 3.7778 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.9272 10.0913 3.7778 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_8.pdb protocols.relax.FastRelax: CMD: repeat 17049.2 14.9699 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 17049.2 14.9699 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2297.98 14.9699 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 40.9703 14.9699 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 75.3387 14.9699 0 0.02805 protocols.relax.FastRelax: CMD: min -101.197 16.6009 2.84721 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.197 16.6009 2.84721 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8098 16.6009 2.84721 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.8624 16.6009 2.84721 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0688 16.6009 2.84721 0.154 protocols.relax.FastRelax: CMD: min -81.3546 17.0422 3.47637 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3546 17.0422 3.47637 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6402 17.0422 3.47637 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.9045 17.0422 3.47637 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.586 17.0422 3.47637 0.31955 protocols.relax.FastRelax: CMD: min -63.7539 17.0457 3.48062 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7539 17.0457 3.48062 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8654 17.0457 3.48062 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.518 17.0457 3.48062 0.55 protocols.relax.FastRelax: CMD: min -75.6538 17.4137 4.7784 0.55 protocols.relax.FastRelax: MRP: 0 -75.6538 -75.6538 17.4137 4.7784 protocols.relax.FastRelax: CMD: accept_to_best -75.6538 17.4137 4.7784 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.6538 17.4137 4.7784 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.6538 17.4137 4.7784 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.444 17.4137 4.7784 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.579 17.4137 4.7784 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.764 17.4137 4.7784 0.02805 protocols.relax.FastRelax: CMD: min -118.426 16.9816 4.53407 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.426 16.9816 4.53407 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -83.4831 16.9816 4.53407 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.5925 16.9816 4.53407 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -83.3739 16.9816 4.53407 0.154 protocols.relax.FastRelax: CMD: min -101.244 17.179 4.60329 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.244 17.179 4.60329 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4729 17.179 4.60329 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.4968 17.179 4.60329 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.3367 17.179 4.60329 0.31955 protocols.relax.FastRelax: CMD: min -88.628 17.3432 4.78279 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.628 17.3432 4.78279 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.898 17.3432 4.78279 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.9151 17.3432 4.78279 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 3.8147e-06 Deriv= -0.0091845 Finite Diff= 0.00199666 protocols.relax.FastRelax: CMD: min -79.2299 17.5163 5.17948 0.55 protocols.relax.FastRelax: MRP: 1 -79.2299 -79.2299 17.5163 5.17948 protocols.relax.FastRelax: CMD: accept_to_best -79.2299 17.5163 5.17948 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.2299 17.5163 5.17948 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2299 17.5163 5.17948 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.82 17.5163 5.17948 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.163 17.5163 5.17948 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -106.326 17.5163 5.17948 0.02805 protocols.relax.FastRelax: CMD: min -119.168 17.1163 4.81384 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.168 17.1163 4.81384 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6132 17.1163 4.81384 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.223 17.1163 4.81384 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.2424 17.1163 4.81384 0.154 protocols.relax.FastRelax: CMD: min -103.877 17.2227 4.88083 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -103.877 17.2227 4.88083 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -89.5281 17.2227 4.88083 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.5511 17.2227 4.88083 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -88.4344 17.2227 4.88083 0.31955 protocols.relax.FastRelax: CMD: min -91.3887 17.3259 4.97608 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.3887 17.3259 4.97608 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1751 17.3259 4.97608 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.1988 17.3259 4.97608 0.55 protocols.relax.FastRelax: CMD: min -79.9177 17.4618 5.13638 0.55 protocols.relax.FastRelax: MRP: 2 -79.9177 -79.9177 17.4618 5.13638 protocols.relax.FastRelax: CMD: accept_to_best -79.9177 17.4618 5.13638 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.9177 17.4618 5.13638 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9177 17.4618 5.13638 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -106.472 17.4618 5.13638 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.88 17.4618 5.13638 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.047 17.4618 5.13638 0.02805 protocols.relax.FastRelax: CMD: min -123.176 16.8354 4.65266 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -123.176 16.8354 4.65266 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -85.8777 16.8354 4.65266 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.1713 16.8354 4.65266 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2316 16.8354 4.65266 0.154 protocols.relax.FastRelax: CMD: min -101.977 16.6943 4.45755 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.977 16.6943 4.45755 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0238 16.6943 4.45755 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.0762 16.6943 4.45755 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.9044 16.6943 4.45755 0.31955 protocols.relax.FastRelax: CMD: min -89.7689 16.8557 4.60213 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -89.7689 16.8557 4.60213 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0381 16.8557 4.60213 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.0548 16.8557 4.60213 0.55 protocols.relax.FastRelax: CMD: min -81.9106 16.7521 4.46604 0.55 protocols.relax.FastRelax: MRP: 3 -81.9106 -81.9106 16.7521 4.46604 protocols.relax.FastRelax: CMD: accept_to_best -81.9106 16.7521 4.46604 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.9106 16.7521 4.46604 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.9106 16.7521 4.46604 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -108.493 16.7521 4.46604 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 560 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.928 16.7521 4.46604 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -109.059 16.7521 4.46604 0.02805 protocols.relax.FastRelax: CMD: min -123.246 16.14 4.19339 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -123.246 16.14 4.19339 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -87.3087 16.14 4.19339 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.1755 16.14 4.19339 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9266 16.14 4.19339 0.154 protocols.relax.FastRelax: CMD: min -106.91 16.444 4.27233 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.91 16.444 4.27233 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.4446 16.444 4.27233 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.4582 16.444 4.27233 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -91.3201 16.444 4.27233 0.31955 protocols.relax.FastRelax: CMD: min -93.8844 16.5628 4.35194 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -93.8844 16.5628 4.35194 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9034 16.5628 4.35194 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.9597 16.5628 4.35194 0.55 protocols.relax.FastRelax: CMD: min -81.9131 16.7618 4.47258 0.55 protocols.relax.FastRelax: MRP: 4 -81.9131 -81.9131 16.7618 4.47258 protocols.relax.FastRelax: CMD: accept_to_best -81.9131 16.7618 4.47258 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.9131 16.7618 4.47258 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_31.pdb protocols.relax.FastRelax: CMD: repeat 13067.8 13.0994 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13067.8 13.0994 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2012.56 13.0994 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 773 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 14.2111 13.0994 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 23.2478 13.0994 0 0.02805 protocols.relax.FastRelax: CMD: min -67.6635 13.6388 2.13713 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6635 13.6388 2.13713 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 6.79424 13.6388 2.13713 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 749 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.183906 13.6388 2.13713 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 4.82517 13.6388 2.13713 0.154 protocols.relax.FastRelax: CMD: min -50.9015 13.4922 2.04998 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9015 13.4922 2.04998 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -29.9048 13.4922 2.04998 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 648 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.3051 13.4922 2.04998 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6594 13.4922 2.04998 0.31955 protocols.relax.FastRelax: CMD: min -34.5008 13.5266 1.9724 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.5008 13.5266 1.9724 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.4445 13.5266 1.9724 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 653 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.4566 13.5266 1.9724 0.55 protocols.relax.FastRelax: CMD: min -35.8419 13.65 2.00787 0.55 protocols.relax.FastRelax: MRP: 0 -35.8419 -35.8419 13.65 2.00787 protocols.relax.FastRelax: CMD: accept_to_best -35.8419 13.65 2.00787 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.8419 13.65 2.00787 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.8419 13.65 2.00787 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5881 13.65 2.00787 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 675 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.937 13.65 2.00787 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.192 13.65 2.00787 0.02805 protocols.relax.FastRelax: CMD: min -78.4329 13.5501 2.35158 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4329 13.5501 2.35158 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -7.69195 13.5501 2.35158 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.6374 13.5501 2.35158 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2545 13.5501 2.35158 0.154 protocols.relax.FastRelax: CMD: min -61.6273 13.647 2.24155 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -61.6273 13.647 2.24155 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.4362 13.647 2.24155 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 614 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6502 13.647 2.24155 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.201 13.647 2.24155 0.31955 protocols.relax.FastRelax: CMD: min -45.8454 13.6703 2.19958 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.8454 13.6703 2.19958 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3713 13.6703 2.19958 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 607 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.6247 13.6703 2.19958 0.55 protocols.relax.FastRelax: CMD: min -38.8149 13.5876 2.31239 0.55 protocols.relax.FastRelax: MRP: 1 -38.8149 -38.8149 13.5876 2.31239 protocols.relax.FastRelax: CMD: accept_to_best -38.8149 13.5876 2.31239 0.55 protocols.relax.FastRelax: CMD: endrepeat -38.8149 13.5876 2.31239 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -38.8149 13.5876 2.31239 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -66.2474 13.5876 2.31239 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 681 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.1196 13.5876 2.31239 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.387 13.5876 2.31239 0.02805 protocols.relax.FastRelax: CMD: min -103.098 12.9286 2.88485 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.098 12.9286 2.88485 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5802 12.9286 2.88485 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 634 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.8355 12.9286 2.88485 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7764 12.9286 2.88485 0.154 protocols.relax.FastRelax: CMD: min -70.3939 13.1784 2.72606 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.3939 13.1784 2.72606 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1295 13.1784 2.72606 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.5124 13.1784 2.72606 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7477 13.1784 2.72606 0.31955 protocols.relax.FastRelax: CMD: min -54.3496 13.3062 2.63475 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.3496 13.3062 2.63475 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9985 13.3062 2.63475 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 601 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9989 13.3062 2.63475 0.55 protocols.relax.FastRelax: CMD: min -45.094 13.1674 2.9703 0.55 protocols.relax.FastRelax: MRP: 2 -45.094 -45.094 13.1674 2.9703 protocols.relax.FastRelax: CMD: accept_to_best -45.094 13.1674 2.9703 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.094 13.1674 2.9703 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.094 13.1674 2.9703 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.3461 13.1674 2.9703 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 645 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.2353 13.1674 2.9703 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8013 13.1674 2.9703 0.02805 protocols.relax.FastRelax: CMD: min -105.156 12.6796 3.32091 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.156 12.6796 3.32091 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.1606 12.6796 3.32091 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.533 12.6796 3.32091 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.5446 12.6796 3.32091 0.154 protocols.relax.FastRelax: CMD: min -71.9468 12.9918 3.05671 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.9468 12.9918 3.05671 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.2903 12.9918 3.05671 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.6766 12.9918 3.05671 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9054 12.9918 3.05671 0.31955 protocols.relax.FastRelax: CMD: min -55.6684 13.1058 2.97616 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.6684 13.1058 2.97616 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0065 13.1058 2.97616 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2984 13.1058 2.97616 0.55 protocols.relax.FastRelax: CMD: min -45.4213 13.1932 2.94599 0.55 protocols.relax.FastRelax: MRP: 3 -45.4213 -45.4213 13.1932 2.94599 protocols.relax.FastRelax: CMD: accept_to_best -45.4213 13.1932 2.94599 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.4213 13.1932 2.94599 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.4213 13.1932 2.94599 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8252 13.1932 2.94599 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 649 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6448 13.1932 2.94599 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1038 13.1932 2.94599 0.02805 protocols.relax.FastRelax: CMD: min -103.343 12.6535 3.34493 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.343 12.6535 3.34493 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2257 12.6535 3.34493 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.3257 12.6535 3.34493 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1327 12.6535 3.34493 0.154 protocols.relax.FastRelax: CMD: min -72.4133 13.0064 3.04321 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.4133 13.0064 3.04321 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.3898 13.0064 3.04321 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.0635 13.0064 3.04321 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.4163 13.0064 3.04321 0.31955 protocols.relax.FastRelax: CMD: min -53.1145 13.0485 3.02206 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.1145 13.0485 3.02206 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.4251 13.0485 3.02206 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4394 13.0485 3.02206 0.55 protocols.relax.FastRelax: CMD: min -45.8009 13.4043 2.73555 0.55 protocols.relax.FastRelax: MRP: 4 -45.8009 -45.8009 13.4043 2.73555 protocols.relax.FastRelax: CMD: accept_to_best -45.8009 13.4043 2.73555 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.8009 13.4043 2.73555 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_19.pdb protocols.relax.FastRelax: CMD: repeat 9272.86 13.3432 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9272.86 13.3432 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1811.61 13.3432 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2.41705 13.3432 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 4.76459 13.3432 0 0.02805 protocols.relax.FastRelax: CMD: min -62.2204 14.5711 3.34174 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -62.2204 14.5711 3.34174 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5838 14.5711 3.34174 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.5996 14.5711 3.34174 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9698 14.5711 3.34174 0.154 protocols.relax.FastRelax: CMD: min -63.1691 15.0578 3.20406 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.1691 15.0578 3.20406 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.45 15.0578 3.20406 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 595 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.5488 15.0578 3.20406 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.6222 15.0578 3.20406 0.31955 protocols.relax.FastRelax: CMD: min -52.7352 15.1159 3.246 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.7352 15.1159 3.246 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.9808 15.1159 3.246 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 585 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.1147 15.1159 3.246 0.55 protocols.relax.FastRelax: CMD: min -71.1812 15.0569 3.72395 0.55 protocols.relax.FastRelax: MRP: 0 -71.1812 -71.1812 15.0569 3.72395 protocols.relax.FastRelax: CMD: accept_to_best -71.1812 15.0569 3.72395 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.1812 15.0569 3.72395 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.1812 15.0569 3.72395 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2112 15.0569 3.72395 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 682 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.658 15.0569 3.72395 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.3673 15.0569 3.72395 0.02805 protocols.relax.FastRelax: CMD: min -109.076 14.9416 3.7591 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.076 14.9416 3.7591 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3025 14.9416 3.7591 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.5603 14.9416 3.7591 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0634 14.9416 3.7591 0.154 protocols.relax.FastRelax: CMD: min -93.6708 14.9518 3.75194 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.6708 14.9518 3.75194 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8522 14.9518 3.75194 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 601 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.8793 14.9518 3.75194 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.7936 14.9518 3.75194 0.31955 protocols.relax.FastRelax: CMD: min -80.3497 14.9513 3.74186 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.3497 14.9513 3.74186 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.0776 14.9513 3.74186 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 598 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.0777 14.9513 3.74186 0.55 protocols.relax.FastRelax: CMD: min -76.066 15.036 3.81434 0.55 protocols.relax.FastRelax: MRP: 1 -76.066 -76.066 15.036 3.81434 protocols.relax.FastRelax: CMD: accept_to_best -76.066 15.036 3.81434 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.066 15.036 3.81434 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.066 15.036 3.81434 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -98.7416 15.036 3.81434 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 687 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.318 15.036 3.81434 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.014 15.036 3.81434 0.02805 protocols.relax.FastRelax: CMD: min -117.863 14.8714 3.80597 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -117.863 14.8714 3.80597 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.543 14.8714 3.80597 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.8967 14.8714 3.80597 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3916 14.8714 3.80597 0.154 protocols.relax.FastRelax: CMD: min -96.4129 14.7565 3.6367 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.4129 14.7565 3.6367 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.5755 14.7565 3.6367 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.4648 14.7565 3.6367 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.3912 14.7565 3.6367 0.31955 protocols.relax.FastRelax: CMD: min -82.8128 14.7822 3.62692 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8128 14.7822 3.62692 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0023 14.7822 3.62692 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.4649 14.7822 3.62692 0.55 protocols.relax.FastRelax: CMD: min -77.5853 14.9169 3.67152 0.55 protocols.relax.FastRelax: MRP: 2 -77.5853 -77.5853 14.9169 3.67152 protocols.relax.FastRelax: CMD: accept_to_best -77.5853 14.9169 3.67152 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.5853 14.9169 3.67152 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5853 14.9169 3.67152 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.632 14.9169 3.67152 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 680 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.83 14.9169 3.67152 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.525 14.9169 3.67152 0.02805 protocols.relax.FastRelax: CMD: min -117.886 14.8428 3.88424 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -117.886 14.8428 3.88424 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7112 14.8428 3.88424 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 637 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.2992 14.8428 3.88424 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.8944 14.8428 3.88424 0.154 protocols.relax.FastRelax: CMD: min -97.57 14.9361 3.8154 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -97.57 14.9361 3.8154 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.341 14.9361 3.8154 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 625 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.6533 14.9361 3.8154 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.3831 14.9361 3.8154 0.31955 protocols.relax.FastRelax: CMD: min -85.835 14.8976 3.67116 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -85.835 14.8976 3.67116 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6596 14.8976 3.67116 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.8253 14.8976 3.67116 0.55 protocols.relax.FastRelax: CMD: min -77.5036 14.9548 3.66562 0.55 protocols.relax.FastRelax: MRP: 3 -77.5036 -77.5853 14.9169 3.67152 protocols.relax.FastRelax: CMD: accept_to_best -77.5036 14.9548 3.66562 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.5036 14.9548 3.66562 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5036 14.9548 3.66562 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.624 14.9548 3.66562 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 679 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.987 14.9548 3.66562 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.645 14.9548 3.66562 0.02805 protocols.relax.FastRelax: CMD: min -122.468 14.7797 3.71873 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.468 14.7797 3.71873 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5242 14.7797 3.71873 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 669 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.7741 14.7797 3.71873 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.9532 14.7797 3.71873 0.154 protocols.relax.FastRelax: CMD: min -100.723 14.8693 3.6829 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.723 14.8693 3.6829 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.7907 14.8693 3.6829 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.8434 14.8693 3.6829 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.5551 14.8693 3.6829 0.31955 protocols.relax.FastRelax: CMD: min -87.1004 14.9109 3.67796 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.1004 14.9109 3.67796 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.8961 14.9109 3.67796 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.9725 14.9109 3.67796 0.55 protocols.relax.FastRelax: CMD: min -78.6159 14.9565 3.71484 0.55 protocols.relax.FastRelax: MRP: 4 -78.6159 -78.6159 14.9565 3.71484 protocols.relax.FastRelax: CMD: accept_to_best -78.6159 14.9565 3.71484 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.6159 14.9565 3.71484 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_33.pdb protocols.relax.FastRelax: CMD: repeat 14087.4 13.7602 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14087.4 13.7602 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1959.85 13.7602 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 64.4533 13.7602 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 91.4597 13.7602 0 0.02805 protocols.relax.FastRelax: CMD: min -26.4831 13.3441 2.6629 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -26.4831 13.3441 2.6629 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 77.7652 13.3441 2.6629 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 607 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 42.4907 13.3441 2.6629 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 47.4769 13.3441 2.6629 0.154 protocols.relax.FastRelax: CMD: min -23.2264 12.973 2.55327 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -23.2264 12.973 2.55327 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -6.01404 12.973 2.55327 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.13704 12.973 2.55327 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -7.73824 12.973 2.55327 0.31955 protocols.relax.FastRelax: CMD: min -36.4749 13.1526 2.63897 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.4749 13.1526 2.63897 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6715 13.1526 2.63897 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.719 13.1526 2.63897 0.55 protocols.relax.FastRelax: CMD: min -45.826 12.9766 3.08337 0.55 protocols.relax.FastRelax: MRP: 0 -45.826 -45.826 12.9766 3.08337 protocols.relax.FastRelax: CMD: accept_to_best -45.826 12.9766 3.08337 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.826 12.9766 3.08337 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.826 12.9766 3.08337 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5817 12.9766 3.08337 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 605 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.0533 12.9766 3.08337 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.5681 12.9766 3.08337 0.02805 protocols.relax.FastRelax: CMD: min -111.567 12.8468 3.77701 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.567 12.8468 3.77701 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.4066 12.8468 3.77701 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 772 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.8296 12.8468 3.77701 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.5299 12.8468 3.77701 0.154 protocols.relax.FastRelax: CMD: min -81.3453 12.7602 3.60348 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3453 12.7602 3.60348 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7097 12.7602 3.60348 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3616 12.7602 3.60348 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6565 12.7602 3.60348 0.31955 protocols.relax.FastRelax: CMD: min -66.0127 12.7918 3.543 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.0127 12.7918 3.543 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.872 12.7918 3.543 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.7192 12.7918 3.543 0.55 protocols.relax.FastRelax: CMD: min -61.8971 12.864 3.55809 0.55 protocols.relax.FastRelax: MRP: 1 -61.8971 -61.8971 12.864 3.55809 protocols.relax.FastRelax: CMD: accept_to_best -61.8971 12.864 3.55809 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.8971 12.864 3.55809 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.8971 12.864 3.55809 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.6082 12.864 3.55809 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 626 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.0005 12.864 3.55809 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4791 12.864 3.55809 0.02805 protocols.relax.FastRelax: CMD: min -113.905 12.9312 3.77392 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.905 12.9312 3.77392 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.724 12.9312 3.77392 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 829 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.551 12.9312 3.77392 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6055 12.9312 3.77392 0.154 protocols.relax.FastRelax: CMD: min -89.1795 12.9012 3.69611 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1795 12.9012 3.69611 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6206 12.9012 3.69611 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 714 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.2433 12.9012 3.69611 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7286 12.9012 3.69611 0.31955 protocols.relax.FastRelax: CMD: min -72.112 12.8769 3.63681 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.112 12.8769 3.63681 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.9895 12.8769 3.63681 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 621 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.0518 12.8769 3.63681 0.55 protocols.relax.FastRelax: CMD: min -61.8885 12.8632 3.56074 0.55 protocols.relax.FastRelax: MRP: 2 -61.8885 -61.8971 12.864 3.55809 protocols.relax.FastRelax: CMD: accept_to_best -61.8885 12.8632 3.56074 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.8885 12.8632 3.56074 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.8885 12.8632 3.56074 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.601 12.8632 3.56074 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 629 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.0163 12.8632 3.56074 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4904 12.8632 3.56074 0.02805 protocols.relax.FastRelax: CMD: min -114.328 12.9338 3.77576 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -114.328 12.9338 3.77576 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.1508 12.9338 3.77576 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 835 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.862 12.9338 3.77576 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.9122 12.9338 3.77576 0.154 protocols.relax.FastRelax: CMD: min -88.7676 12.9018 3.69793 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.7676 12.9018 3.69793 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.246 12.9018 3.69793 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 717 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8876 12.9018 3.69793 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.2959 12.9018 3.69793 0.31955 protocols.relax.FastRelax: CMD: min -72.9542 12.8736 3.6186 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.9542 12.8736 3.6186 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9326 12.8736 3.6186 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 714 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.9361 12.8736 3.6186 0.55 protocols.relax.FastRelax: CMD: min -61.9078 12.8631 3.56001 0.55 protocols.relax.FastRelax: MRP: 3 -61.9078 -61.9078 12.8631 3.56001 protocols.relax.FastRelax: CMD: accept_to_best -61.9078 12.8631 3.56001 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.9078 12.8631 3.56001 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.9078 12.8631 3.56001 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.6244 12.8631 3.56001 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 629 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.9925 12.8631 3.56001 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4715 12.8631 3.56001 0.02805 protocols.relax.FastRelax: CMD: min -113.547 12.9361 3.7662 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.547 12.9361 3.7662 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.149 12.9361 3.7662 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 813 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.0234 12.9361 3.7662 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0051 12.9361 3.7662 0.154 protocols.relax.FastRelax: CMD: min -89.1297 12.9111 3.68984 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1297 12.9111 3.68984 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5445 12.9111 3.68984 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 774 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.2348 12.9111 3.68984 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7978 12.9111 3.68984 0.31955 protocols.relax.FastRelax: CMD: min -73.8162 12.8779 3.6399 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.8162 12.8779 3.6399 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5474 12.8779 3.6399 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5593 12.8779 3.6399 0.55 protocols.relax.FastRelax: CMD: min -61.8925 12.8624 3.56159 0.55 protocols.relax.FastRelax: MRP: 4 -61.8925 -61.9078 12.8631 3.56001 protocols.relax.FastRelax: CMD: accept_to_best -61.8925 12.8624 3.56159 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.8925 12.8624 3.56159 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_45.pdb protocols.relax.FastRelax: CMD: repeat 12937 11.1341 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12937 11.1341 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2001.95 11.1341 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 83.8714 11.1341 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 100.675 11.1341 0 0.02805 protocols.relax.FastRelax: CMD: min 199.978 10.3928 6.80022 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 199.978 10.3928 6.80022 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 1390.45 10.3928 6.80022 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1101.36 10.3928 6.80022 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1168.01 10.3928 6.80022 0.154 protocols.relax.FastRelax: CMD: min -43.1033 12.6644 9.62591 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.1033 12.6644 9.62591 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.339 12.6644 9.62591 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8645 12.6644 9.62591 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5445 12.6644 9.62591 0.31955 protocols.relax.FastRelax: CMD: min -32.1855 12.6876 9.5967 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -32.1855 12.6876 9.5967 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0512 12.6876 9.5967 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.1088 12.6876 9.5967 0.55 protocols.relax.FastRelax: CMD: min -36.2295 12.1473 8.91677 0.55 protocols.relax.FastRelax: MRP: 0 -36.2295 -36.2295 12.1473 8.91677 protocols.relax.FastRelax: CMD: accept_to_best -36.2295 12.1473 8.91677 0.55 protocols.relax.FastRelax: CMD: endrepeat -36.2295 12.1473 8.91677 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -36.2295 12.1473 8.91677 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -58.5745 12.1473 8.91677 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8241 12.1473 8.91677 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7613 12.1473 8.91677 0.02805 protocols.relax.FastRelax: CMD: min -80.8652 12.3634 9.05804 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.8652 12.3634 9.05804 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0723 12.3634 9.05804 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5595 12.3634 9.05804 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.6412 12.3634 9.05804 0.154 protocols.relax.FastRelax: CMD: min -60.0474 12.2959 9.04612 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.0474 12.2959 9.04612 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.3814 12.2959 9.04612 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.4846 12.2959 9.04612 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1864 12.2959 9.04612 0.31955 protocols.relax.FastRelax: CMD: min -48.3799 12.2614 9.03348 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.3799 12.2614 9.03348 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6235 12.2614 9.03348 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.627 12.2614 9.03348 0.55 protocols.relax.FastRelax: CMD: min -39.044 12.0239 8.58768 0.55 protocols.relax.FastRelax: MRP: 1 -39.044 -39.044 12.0239 8.58768 protocols.relax.FastRelax: CMD: accept_to_best -39.044 12.0239 8.58768 0.55 protocols.relax.FastRelax: CMD: endrepeat -39.044 12.0239 8.58768 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -39.044 12.0239 8.58768 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9813 12.0239 8.58768 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.7449 12.0239 8.58768 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9492 12.0239 8.58768 0.02805 protocols.relax.FastRelax: CMD: min -80.7305 12.1541 8.68591 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.7305 12.1541 8.68591 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.5132 12.1541 8.68591 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9802 12.1541 8.68591 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0282 12.1541 8.68591 0.154 protocols.relax.FastRelax: CMD: min -60.6281 12.1048 8.70031 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6281 12.1048 8.70031 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1285 12.1048 8.70031 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.5388 12.1048 8.70031 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.3373 12.1048 8.70031 0.31955 protocols.relax.FastRelax: CMD: min -48.5052 12.1316 8.74696 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.5052 12.1316 8.74696 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8186 12.1316 8.74696 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.5122 12.1316 8.74696 0.55 protocols.relax.FastRelax: CMD: min -38.6032 12.0259 8.58103 0.55 protocols.relax.FastRelax: MRP: 2 -38.6032 -39.044 12.0239 8.58768 protocols.relax.FastRelax: CMD: accept_to_best -38.6032 12.0259 8.58103 0.55 protocols.relax.FastRelax: CMD: endrepeat -38.6032 12.0259 8.58103 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -38.6032 12.0259 8.58103 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8653 12.0259 8.58103 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.7616 12.0259 8.58103 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.835 12.0259 8.58103 0.02805 protocols.relax.FastRelax: CMD: min -77.5345 12.2218 8.83525 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5345 12.2218 8.83525 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5453 12.2218 8.83525 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9942 12.2218 8.83525 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.336 12.2218 8.83525 0.154 protocols.relax.FastRelax: CMD: min -59.8739 12.0767 8.68194 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.8739 12.0767 8.68194 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2754 12.0767 8.68194 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.7002 12.0767 8.68194 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.5416 12.0767 8.68194 0.31955 protocols.relax.FastRelax: CMD: min -47.2909 12.0958 8.66982 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.2909 12.0958 8.66982 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8241 12.0958 8.66982 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.999 12.0958 8.66982 0.55 protocols.relax.FastRelax: CMD: min -38.6171 12.0242 8.57836 0.55 protocols.relax.FastRelax: MRP: 3 -38.6171 -39.044 12.0239 8.58768 protocols.relax.FastRelax: CMD: accept_to_best -38.6171 12.0242 8.57836 0.55 protocols.relax.FastRelax: CMD: endrepeat -38.6171 12.0242 8.57836 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -38.6171 12.0242 8.57836 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8719 12.0242 8.57836 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.708 12.0242 8.57836 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7715 12.0242 8.57836 0.02805 protocols.relax.FastRelax: CMD: min -74.9354 12.2022 8.72654 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9354 12.2022 8.72654 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1322 12.2022 8.72654 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.9784 12.2022 8.72654 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1224 12.2022 8.72654 0.154 protocols.relax.FastRelax: CMD: min -60.5337 12.0176 8.58894 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5337 12.0176 8.58894 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8638 12.0176 8.58894 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.9157 12.0176 8.58894 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.8384 12.0176 8.58894 0.31955 protocols.relax.FastRelax: CMD: min -48.4445 12.0129 8.56079 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.4445 12.0129 8.56079 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6729 12.0129 8.56079 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.1364 12.0129 8.56079 0.55 protocols.relax.FastRelax: CMD: min -38.6334 11.9748 8.50616 0.55 protocols.relax.FastRelax: MRP: 4 -38.6334 -39.044 12.0239 8.58768 protocols.relax.FastRelax: CMD: accept_to_best -38.6334 11.9748 8.50616 0.55 protocols.relax.FastRelax: CMD: endrepeat -38.6334 11.9748 8.50616 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_48.pdb protocols.relax.FastRelax: CMD: repeat 12317.3 13.5916 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12317.3 13.5916 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2081.88 13.5916 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 39.0077 13.5916 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 52.6241 13.5916 0 0.02805 protocols.relax.FastRelax: CMD: min -69.1442 12.8496 2.30452 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.1442 12.8496 2.30452 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -12.574 12.8496 2.30452 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.1971 12.8496 2.30452 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.8007 12.8496 2.30452 0.154 protocols.relax.FastRelax: CMD: min -51.419 13.1521 2.10843 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -51.419 13.1521 2.10843 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9485 13.1521 2.10843 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9955 13.1521 2.10843 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.7035 13.1521 2.10843 0.31955 protocols.relax.FastRelax: CMD: min -35.4553 13.2424 2.0787 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.4553 13.2424 2.0787 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.7186 13.2424 2.0787 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.0122 13.2424 2.0787 0.55 protocols.relax.FastRelax: CMD: min -41.3402 13.0491 2.18679 0.55 protocols.relax.FastRelax: MRP: 0 -41.3402 -41.3402 13.0491 2.18679 protocols.relax.FastRelax: CMD: accept_to_best -41.3402 13.0491 2.18679 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.3402 13.0491 2.18679 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -41.3402 13.0491 2.18679 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -66.9573 13.0491 2.18679 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.7098 13.0491 2.18679 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5222 13.0491 2.18679 0.02805 protocols.relax.FastRelax: CMD: min -86.6848 12.9195 2.37656 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -86.6848 12.9195 2.37656 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.1227 12.9195 2.37656 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.0721 12.9195 2.37656 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.1413 12.9195 2.37656 0.154 protocols.relax.FastRelax: CMD: min -64.3084 13.0258 2.21062 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.3084 13.0258 2.21062 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2941 13.0258 2.21062 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.6504 13.0258 2.21062 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3177 13.0258 2.21062 0.31955 protocols.relax.FastRelax: CMD: min -50.9716 13.021 2.18606 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9716 13.021 2.18606 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.106 13.021 2.18606 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.3975 13.021 2.18606 0.55 protocols.relax.FastRelax: CMD: min -46.6568 12.8375 2.70605 0.55 protocols.relax.FastRelax: MRP: 1 -46.6568 -46.6568 12.8375 2.70605 protocols.relax.FastRelax: CMD: accept_to_best -46.6568 12.8375 2.70605 0.55 protocols.relax.FastRelax: CMD: endrepeat -46.6568 12.8375 2.70605 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -46.6568 12.8375 2.70605 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4349 12.8375 2.70605 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.9991 12.8375 2.70605 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.4048 12.8375 2.70605 0.02805 protocols.relax.FastRelax: CMD: min -99.0508 12.7649 3.33819 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.0508 12.7649 3.33819 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8273 12.7649 3.33819 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.445 12.7649 3.33819 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.6445 12.7649 3.33819 0.154 protocols.relax.FastRelax: CMD: min -74.6591 12.8063 3.06361 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.6591 12.8063 3.06361 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5273 12.8063 3.06361 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.7557 12.8063 3.06361 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3437 12.8063 3.06361 0.31955 protocols.relax.FastRelax: CMD: min -58.9522 12.8126 3.05074 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.9522 12.8126 3.05074 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.4731 12.8126 3.05074 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 528 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.5523 12.8126 3.05074 0.55 protocols.relax.FastRelax: CMD: min -48.2095 12.8774 3.68782 0.55 protocols.relax.FastRelax: MRP: 2 -48.2095 -48.2095 12.8774 3.68782 protocols.relax.FastRelax: CMD: accept_to_best -48.2095 12.8774 3.68782 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.2095 12.8774 3.68782 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.2095 12.8774 3.68782 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.3698 12.8774 3.68782 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.5955 12.8774 3.68782 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.0015 12.8774 3.68782 0.02805 protocols.relax.FastRelax: CMD: min -103.583 12.7962 4.23944 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.583 12.7962 4.23944 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2072 12.7962 4.23944 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 577 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.8933 12.7962 4.23944 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9449 12.7962 4.23944 0.154 protocols.relax.FastRelax: CMD: min -71.9628 12.8227 3.9631 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.9628 12.8227 3.9631 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5717 12.8227 3.9631 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.3274 12.8227 3.9631 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6444 12.8227 3.9631 0.31955 protocols.relax.FastRelax: CMD: min -57.8889 12.8439 3.92517 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8889 12.8439 3.92517 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.297 12.8439 3.92517 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.4039 12.8439 3.92517 0.55 protocols.relax.FastRelax: CMD: min -53.1641 12.8058 4.24863 0.55 protocols.relax.FastRelax: MRP: 3 -53.1641 -53.1641 12.8058 4.24863 protocols.relax.FastRelax: CMD: accept_to_best -53.1641 12.8058 4.24863 0.55 protocols.relax.FastRelax: CMD: endrepeat -53.1641 12.8058 4.24863 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -53.1641 12.8058 4.24863 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6784 12.8058 4.24863 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 584 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.9576 12.8058 4.24863 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8859 12.8058 4.24863 0.02805 protocols.relax.FastRelax: CMD: min -98.4779 12.7513 4.36113 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.4779 12.7513 4.36113 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6087 12.7513 4.36113 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.3082 12.7513 4.36113 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7203 12.7513 4.36113 0.154 protocols.relax.FastRelax: CMD: min -79.385 12.7785 4.30287 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.385 12.7785 4.30287 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.3411 12.7785 4.30287 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6408 12.7785 4.30287 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2329 12.7785 4.30287 0.31955 protocols.relax.FastRelax: CMD: min -65.4623 12.7587 4.21605 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4623 12.7587 4.21605 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3016 12.7587 4.21605 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.518 12.7587 4.21605 0.55 protocols.relax.FastRelax: CMD: min -56.2414 12.8019 4.30536 0.55 protocols.relax.FastRelax: MRP: 4 -56.2414 -56.2414 12.8019 4.30536 protocols.relax.FastRelax: CMD: accept_to_best -56.2414 12.8019 4.30536 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.2414 12.8019 4.30536 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_6.pdb protocols.relax.FastRelax: CMD: repeat 12040.8 15.0737 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12040.8 15.0737 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1934.06 15.0737 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.14839 15.0737 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -3.53305 15.0737 0 0.02805 protocols.relax.FastRelax: CMD: min -32.9754 14.3515 1.78022 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.9754 14.3515 1.78022 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 17.4717 14.3515 1.78022 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 14.6528 14.3515 1.78022 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 17.8846 14.3515 1.78022 0.154 protocols.relax.FastRelax: CMD: min -33.5542 14.7767 2.91788 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.5542 14.7767 2.91788 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -22.2793 14.7767 2.91788 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.3884 14.7767 2.91788 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5024 14.7767 2.91788 0.31955 protocols.relax.FastRelax: CMD: min -44.6178 14.1881 3.50255 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -44.6178 14.1881 3.50255 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6767 14.1881 3.50255 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.8934 14.1881 3.50255 0.55 protocols.relax.FastRelax: CMD: min -51.4054 13.6336 4.12141 0.55 protocols.relax.FastRelax: MRP: 0 -51.4054 -51.4054 13.6336 4.12141 protocols.relax.FastRelax: CMD: accept_to_best -51.4054 13.6336 4.12141 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.4054 13.6336 4.12141 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.4054 13.6336 4.12141 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.5898 13.6336 4.12141 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.8121 13.6336 4.12141 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.5587 13.6336 4.12141 0.02805 protocols.relax.FastRelax: CMD: min -72.7138 13.6295 4.12842 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7138 13.6295 4.12842 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7413 13.6295 4.12842 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.7413 13.6295 4.12842 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3927 13.6295 4.12842 0.154 protocols.relax.FastRelax: CMD: min -67.4683 13.6263 4.13372 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.4683 13.6263 4.13372 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.9458 13.6263 4.13372 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.9458 13.6263 4.13372 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.4315 13.6263 4.13372 0.31955 protocols.relax.FastRelax: CMD: min -60.4489 13.6243 4.13642 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.4489 13.6243 4.13642 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.636 13.6243 4.13642 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.6361 13.6243 4.13642 0.55 protocols.relax.FastRelax: CMD: min -52.2249 13.6837 4.02371 0.55 protocols.relax.FastRelax: MRP: 1 -52.2249 -52.2249 13.6837 4.02371 protocols.relax.FastRelax: CMD: accept_to_best -52.2249 13.6837 4.02371 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2249 13.6837 4.02371 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2249 13.6837 4.02371 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3931 13.6837 4.02371 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.9858 13.6837 4.02371 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7323 13.6837 4.02371 0.02805 protocols.relax.FastRelax: CMD: min -72.8842 13.6795 4.03054 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8842 13.6795 4.03054 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.9101 13.6795 4.03054 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.9102 13.6795 4.03054 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.5615 13.6795 4.03054 0.154 protocols.relax.FastRelax: CMD: min -67.6355 13.6763 4.03565 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6355 13.6763 4.03565 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.1119 13.6763 4.03565 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1119 13.6763 4.03565 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5975 13.6763 4.03565 0.31955 protocols.relax.FastRelax: CMD: min -60.6146 13.6743 4.03814 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6146 13.6743 4.03814 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.7997 13.6743 4.03814 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7998 13.6743 4.03814 0.55 protocols.relax.FastRelax: CMD: min -52.2278 13.6971 3.9963 0.55 protocols.relax.FastRelax: MRP: 2 -52.2278 -52.2278 13.6971 3.9963 protocols.relax.FastRelax: CMD: accept_to_best -52.2278 13.6971 3.9963 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2278 13.6971 3.9963 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2278 13.6971 3.9963 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3736 13.6971 3.9963 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.9752 13.6971 3.9963 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7218 13.6971 3.9963 0.02805 protocols.relax.FastRelax: CMD: min -72.8722 13.6929 4.00306 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8722 13.6929 4.00306 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.9011 13.6929 4.00306 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.713 13.6929 4.00306 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3633 13.6929 4.00306 0.154 protocols.relax.FastRelax: CMD: min -67.4371 13.6896 4.00813 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.4371 13.6896 4.00813 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8955 13.6896 4.00813 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.8955 13.6896 4.00813 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3796 13.6896 4.00813 0.31955 protocols.relax.FastRelax: CMD: min -60.3971 13.6877 4.01057 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.3971 13.6877 4.01057 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5549 13.6877 4.01057 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.6 13.6877 4.01057 0.55 protocols.relax.FastRelax: CMD: min -52.2189 13.7012 3.99235 0.55 protocols.relax.FastRelax: MRP: 3 -52.2189 -52.2278 13.6971 3.9963 protocols.relax.FastRelax: CMD: accept_to_best -52.2189 13.7012 3.99235 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.2189 13.7012 3.99235 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2189 13.7012 3.99235 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3712 13.7012 3.99235 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.9626 13.7012 3.99235 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7094 13.7012 3.99235 0.02805 protocols.relax.FastRelax: CMD: min -72.8601 13.6971 3.99911 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8601 13.6971 3.99911 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8926 13.6971 3.99911 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.8926 13.6971 3.99911 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.5445 13.6971 3.99911 0.154 protocols.relax.FastRelax: CMD: min -67.6185 13.6939 4.00415 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6185 13.6939 4.00415 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.1039 13.6939 4.00415 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1039 13.6939 4.00415 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5902 13.6939 4.00415 0.31955 protocols.relax.FastRelax: CMD: min -60.6077 13.6919 4.0066 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6077 13.6919 4.0066 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.806 13.6919 4.0066 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.806 13.6919 4.0066 0.55 protocols.relax.FastRelax: CMD: min -52.23 13.6973 3.99013 0.55 protocols.relax.FastRelax: MRP: 4 -52.23 -52.23 13.6973 3.99013 protocols.relax.FastRelax: CMD: accept_to_best -52.23 13.6973 3.99013 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.23 13.6973 3.99013 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_29.pdb protocols.relax.FastRelax: CMD: repeat 10666.9 11.2494 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10666.9 11.2494 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1878.53 11.2494 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 653 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 20.1737 11.2494 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 30.6474 11.2494 0 0.02805 protocols.relax.FastRelax: CMD: min -72.7425 11.5906 2.62032 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7425 11.5906 2.62032 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.8 11.5906 2.62032 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.779 11.5906 2.62032 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.75 11.5906 2.62032 0.154 protocols.relax.FastRelax: CMD: min -77.2234 11.7483 2.43929 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.2234 11.7483 2.43929 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0858 11.7483 2.43929 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.618 11.7483 2.43929 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3465 11.7483 2.43929 0.31955 protocols.relax.FastRelax: CMD: min -64.7944 11.8018 2.27146 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.7944 11.8018 2.27146 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.087 11.8018 2.27146 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.2271 11.8018 2.27146 0.55 protocols.relax.FastRelax: CMD: min -68.6602 11.6289 2.10527 0.55 protocols.relax.FastRelax: MRP: 0 -68.6602 -68.6602 11.6289 2.10527 protocols.relax.FastRelax: CMD: accept_to_best -68.6602 11.6289 2.10527 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.6602 11.6289 2.10527 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6602 11.6289 2.10527 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2448 11.6289 2.10527 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 601 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.0348 11.6289 2.10527 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -96.667 11.6289 2.10527 0.02805 protocols.relax.FastRelax: CMD: min -102.212 11.5585 2.12865 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.212 11.5585 2.12865 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6628 11.5585 2.12865 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 545 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.1564 11.5585 2.12865 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.2615 11.5585 2.12865 0.154 protocols.relax.FastRelax: CMD: min -94.1907 11.6073 2.20807 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.1907 11.6073 2.20807 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.4433 11.6073 2.20807 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 545 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.4771 11.6073 2.20807 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.331 11.6073 2.20807 0.31955 protocols.relax.FastRelax: CMD: min -81.2068 11.6579 2.19358 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2068 11.6579 2.19358 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9493 11.6579 2.19358 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.1485 11.6579 2.19358 0.55 protocols.relax.FastRelax: CMD: min -72.1262 11.5688 2.06087 0.55 protocols.relax.FastRelax: MRP: 1 -72.1262 -72.1262 11.5688 2.06087 protocols.relax.FastRelax: CMD: accept_to_best -72.1262 11.5688 2.06087 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.1262 11.5688 2.06087 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.1262 11.5688 2.06087 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -97.3965 11.5688 2.06087 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.6735 11.5688 2.06087 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -98.3169 11.5688 2.06087 0.02805 protocols.relax.FastRelax: CMD: min -112.266 11.4718 2.30133 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -112.266 11.4718 2.30133 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0404 11.4718 2.30133 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.8366 11.4718 2.30133 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9727 11.4718 2.30133 0.154 protocols.relax.FastRelax: CMD: min -96.3678 11.5759 2.2027 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.3678 11.5759 2.2027 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2622 11.5759 2.2027 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.3058 11.5759 2.2027 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.1383 11.5759 2.2027 0.31955 protocols.relax.FastRelax: CMD: min -82.8589 11.5957 2.17257 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8589 11.5957 2.17257 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.245 11.5957 2.17257 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.3044 11.5957 2.17257 0.55 protocols.relax.FastRelax: CMD: min -72.1354 11.5706 2.06187 0.55 protocols.relax.FastRelax: MRP: 2 -72.1354 -72.1354 11.5706 2.06187 protocols.relax.FastRelax: CMD: accept_to_best -72.1354 11.5706 2.06187 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.1354 11.5706 2.06187 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.1354 11.5706 2.06187 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -97.3734 11.5706 2.06187 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.6293 11.5706 2.06187 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2785 11.5706 2.06187 0.02805 protocols.relax.FastRelax: CMD: min -105.895 11.4628 2.16201 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.895 11.4628 2.16201 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7139 11.4628 2.16201 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.1768 11.4628 2.16201 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.5008 11.4628 2.16201 0.154 protocols.relax.FastRelax: CMD: min -95.739 11.5473 2.13032 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.739 11.5473 2.13032 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.1608 11.5473 2.13032 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.3671 11.5473 2.13032 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -82.3876 11.5473 2.13032 0.31955 protocols.relax.FastRelax: CMD: min -83.7712 11.5922 2.12775 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.7712 11.5922 2.12775 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2803 11.5922 2.12775 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.3737 11.5922 2.12775 0.55 protocols.relax.FastRelax: CMD: min -72.256 11.5687 2.06139 0.55 protocols.relax.FastRelax: MRP: 3 -72.256 -72.256 11.5687 2.06139 protocols.relax.FastRelax: CMD: accept_to_best -72.256 11.5687 2.06139 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.256 11.5687 2.06139 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.256 11.5687 2.06139 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -97.428 11.5687 2.06139 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.5385 11.5687 2.06139 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -98.1935 11.5687 2.06139 0.02805 protocols.relax.FastRelax: CMD: min -116.194 11.5612 2.44244 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.194 11.5612 2.44244 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3111 11.5612 2.44244 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0005 11.5612 2.44244 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4995 11.5612 2.44244 0.154 protocols.relax.FastRelax: CMD: min -96.7724 11.6651 2.31165 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.7724 11.6651 2.31165 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0445 11.6651 2.31165 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.2507 11.6651 2.31165 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0324 11.6651 2.31165 0.31955 protocols.relax.FastRelax: CMD: min -82.3359 11.6907 2.28097 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.3359 11.6907 2.28097 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.4375 11.6907 2.28097 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.1878 11.6907 2.28097 0.55 protocols.relax.FastRelax: CMD: min -71.7245 11.5561 2.07589 0.55 protocols.relax.FastRelax: MRP: 4 -71.7245 -72.256 11.5687 2.06139 protocols.relax.FastRelax: CMD: accept_to_best -71.7245 11.5561 2.07589 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.7245 11.5561 2.07589 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_38.pdb protocols.relax.FastRelax: CMD: repeat 9098.23 15.1771 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9098.23 15.1771 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1787.83 15.1771 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 73.0238 15.1771 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 81.8612 15.1771 0 0.02805 protocols.relax.FastRelax: CMD: min -33.323 15.1052 1.9038 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.323 15.1052 1.9038 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 4.15508 15.1052 1.9038 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.8464 15.1052 1.9038 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -9.92738 15.1052 1.9038 0.154 protocols.relax.FastRelax: CMD: min -39.9854 14.9119 2.08823 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.9854 14.9119 2.08823 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2232 14.9119 2.08823 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.7949 14.9119 2.08823 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.8779 14.9119 2.08823 0.31955 protocols.relax.FastRelax: CMD: min -33.126 14.8758 2.09646 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.126 14.8758 2.09646 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8567 14.8758 2.09646 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.0062 14.8758 2.09646 0.55 protocols.relax.FastRelax: CMD: min -37.4163 14.738 2.70892 0.55 protocols.relax.FastRelax: MRP: 0 -37.4163 -37.4163 14.738 2.70892 protocols.relax.FastRelax: CMD: accept_to_best -37.4163 14.738 2.70892 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.4163 14.738 2.70892 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.4163 14.738 2.70892 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5935 14.738 2.70892 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1792 14.738 2.70892 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9154 14.738 2.70892 0.02805 protocols.relax.FastRelax: CMD: min -74.2863 14.7092 2.91131 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -74.2863 14.7092 2.91131 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6119 14.7092 2.91131 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.3698 14.7092 2.91131 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1357 14.7092 2.91131 0.154 protocols.relax.FastRelax: CMD: min -61.881 14.6983 2.91251 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -61.881 14.6983 2.91251 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.0151 14.6983 2.91251 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.0183 14.6983 2.91251 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.0043 14.6983 2.91251 0.31955 protocols.relax.FastRelax: CMD: min -51.5492 14.7047 2.89713 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.5492 14.7047 2.89713 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.4843 14.7047 2.89713 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.5274 14.7047 2.89713 0.55 protocols.relax.FastRelax: CMD: min -48.7946 14.6738 2.89167 0.55 protocols.relax.FastRelax: MRP: 1 -48.7946 -48.7946 14.6738 2.89167 protocols.relax.FastRelax: CMD: accept_to_best -48.7946 14.6738 2.89167 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.7946 14.6738 2.89167 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.7946 14.6738 2.89167 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0328 14.6738 2.89167 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.0665 14.6738 2.89167 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7636 14.6738 2.89167 0.02805 protocols.relax.FastRelax: CMD: min -80.8998 14.6557 2.96944 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.8998 14.6557 2.96944 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8492 14.6557 2.96944 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1134 14.6557 2.96944 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4106 14.6557 2.96944 0.154 protocols.relax.FastRelax: CMD: min -67.7665 14.6755 2.95411 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.7665 14.6755 2.95411 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.2239 14.6755 2.95411 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.2244 14.6755 2.95411 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3143 14.6755 2.95411 0.31955 protocols.relax.FastRelax: CMD: min -56.528 14.6564 2.93919 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.528 14.6564 2.93919 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.3174 14.6564 2.93919 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.7498 14.6564 2.93919 0.55 protocols.relax.FastRelax: CMD: min -48.8772 14.6531 2.90863 0.55 protocols.relax.FastRelax: MRP: 2 -48.8772 -48.8772 14.6531 2.90863 protocols.relax.FastRelax: CMD: accept_to_best -48.8772 14.6531 2.90863 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.8772 14.6531 2.90863 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.8772 14.6531 2.90863 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1043 14.6531 2.90863 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.1429 14.6531 2.90863 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.838 14.6531 2.90863 0.02805 protocols.relax.FastRelax: CMD: min -79.875 14.6339 2.96482 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.875 14.6339 2.96482 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5259 14.6339 2.96482 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.4613 14.6339 2.96482 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -50.7878 14.6339 2.96482 0.154 protocols.relax.FastRelax: CMD: min -64.8401 14.6542 2.99269 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8401 14.6542 2.99269 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.8821 14.6542 2.99269 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.2113 14.6542 2.99269 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.227 14.6542 2.99269 0.31955 protocols.relax.FastRelax: CMD: min -57.3574 14.656 2.95267 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.3574 14.656 2.95267 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.0729 14.656 2.95267 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.1138 14.656 2.95267 0.55 protocols.relax.FastRelax: CMD: min -50.7981 14.6503 2.88078 0.55 protocols.relax.FastRelax: MRP: 3 -50.7981 -50.7981 14.6503 2.88078 protocols.relax.FastRelax: CMD: accept_to_best -50.7981 14.6503 2.88078 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.7981 14.6503 2.88078 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.7981 14.6503 2.88078 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2555 14.6503 2.88078 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.2833 14.6503 2.88078 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9789 14.6503 2.88078 0.02805 protocols.relax.FastRelax: CMD: min -81.519 14.6624 2.91558 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.519 14.6624 2.91558 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3306 14.6624 2.91558 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.7937 14.6624 2.91558 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.0362 14.6624 2.91558 0.154 protocols.relax.FastRelax: CMD: min -68.97 14.6543 2.92342 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.97 14.6543 2.92342 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5027 14.6543 2.92342 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.503 14.6543 2.92342 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5989 14.6543 2.92342 0.31955 protocols.relax.FastRelax: CMD: min -58.3866 14.6543 2.91036 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.3866 14.6543 2.91036 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.4459 14.6543 2.91036 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.9155 14.6543 2.91036 0.55 protocols.relax.FastRelax: CMD: min -50.7896 14.6487 2.87933 0.55 protocols.relax.FastRelax: MRP: 4 -50.7896 -50.7981 14.6503 2.88078 protocols.relax.FastRelax: CMD: accept_to_best -50.7896 14.6487 2.87933 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.7896 14.6487 2.87933 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_24.pdb protocols.relax.FastRelax: CMD: repeat 9525.38 15.0917 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9525.38 15.0917 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1905.33 15.0917 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 12.5787 15.0917 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 16.4236 15.0917 0 0.02805 protocols.relax.FastRelax: CMD: min -47.377 14.575 3.50959 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.377 14.575 3.50959 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 10.1684 14.575 3.50959 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 610 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 7.55917 14.575 3.50959 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 11.4898 14.575 3.50959 0.154 protocols.relax.FastRelax: CMD: min -49.5138 13.9813 4.66262 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.5138 13.9813 4.66262 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -32.751 13.9813 4.66262 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.4469 13.9813 4.66262 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.1215 13.9813 4.66262 0.31955 protocols.relax.FastRelax: CMD: min -41.6933 13.4157 4.86575 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.6933 13.4157 4.86575 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.2053 13.4157 4.86575 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 677 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.6631 13.4157 4.86575 0.55 protocols.relax.FastRelax: CMD: min -59.727 13.1513 5.03321 0.55 protocols.relax.FastRelax: MRP: 0 -59.727 -59.727 13.1513 5.03321 protocols.relax.FastRelax: CMD: accept_to_best -59.727 13.1513 5.03321 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.727 13.1513 5.03321 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.727 13.1513 5.03321 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.6362 13.1513 5.03321 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 677 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.1806 13.1513 5.03321 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.5876 13.1513 5.03321 0.02805 protocols.relax.FastRelax: CMD: min -111.79 13.0646 5.31464 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.79 13.0646 5.31464 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.238 13.0646 5.31464 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 772 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.7396 13.0646 5.31464 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6456 13.0646 5.31464 0.154 protocols.relax.FastRelax: CMD: min -87.1583 13.0997 5.10575 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.1583 13.0997 5.10575 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9737 13.0997 5.10575 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.3851 13.0997 5.10575 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0333 13.0997 5.10575 0.31955 protocols.relax.FastRelax: CMD: min -73.4987 13.13 5.04677 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4987 13.13 5.04677 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.4032 13.13 5.04677 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 689 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.4757 13.13 5.04677 0.55 protocols.relax.FastRelax: CMD: min -63.3046 13.1469 5.01541 0.55 protocols.relax.FastRelax: MRP: 1 -63.3046 -63.3046 13.1469 5.01541 protocols.relax.FastRelax: CMD: accept_to_best -63.3046 13.1469 5.01541 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.3046 13.1469 5.01541 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3046 13.1469 5.01541 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.9338 13.1469 5.01541 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 683 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.2808 13.1469 5.01541 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.7028 13.1469 5.01541 0.02805 protocols.relax.FastRelax: CMD: min -108.024 13.0007 5.3623 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.024 13.0007 5.3623 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.2998 13.0007 5.3623 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 704 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.9986 13.0007 5.3623 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9585 13.0007 5.3623 0.154 protocols.relax.FastRelax: CMD: min -87.231 13.093 5.14972 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.231 13.093 5.14972 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9137 13.093 5.14972 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 708 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.3639 13.093 5.14972 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0691 13.093 5.14972 0.31955 protocols.relax.FastRelax: CMD: min -73.4607 13.1323 5.07035 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4607 13.1323 5.07035 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5607 13.1323 5.07035 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 683 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8218 13.1323 5.07035 0.55 protocols.relax.FastRelax: CMD: min -63.3324 13.146 5.01432 0.55 protocols.relax.FastRelax: MRP: 2 -63.3324 -63.3324 13.146 5.01432 protocols.relax.FastRelax: CMD: accept_to_best -63.3324 13.146 5.01432 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.3324 13.146 5.01432 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3324 13.146 5.01432 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.9921 13.146 5.01432 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 682 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.3796 13.146 5.01432 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8031 13.146 5.01432 0.02805 protocols.relax.FastRelax: CMD: min -107.345 13.0556 5.27063 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.345 13.0556 5.27063 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1046 13.0556 5.27063 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 708 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8872 13.0556 5.27063 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5702 13.0556 5.27063 0.154 protocols.relax.FastRelax: CMD: min -84.7992 13.0645 5.13142 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.7992 13.0645 5.13142 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8428 13.0645 5.13142 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 705 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.4516 13.0645 5.13142 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9013 13.0645 5.13142 0.31955 protocols.relax.FastRelax: CMD: min -73.6142 13.1137 5.02674 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6142 13.1137 5.02674 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6726 13.1137 5.02674 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8821 13.1137 5.02674 0.55 protocols.relax.FastRelax: CMD: min -63.2126 13.144 5.02993 0.55 protocols.relax.FastRelax: MRP: 3 -63.2126 -63.3324 13.146 5.01432 protocols.relax.FastRelax: CMD: accept_to_best -63.2126 13.144 5.02993 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.2126 13.144 5.02993 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.2126 13.144 5.02993 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.7888 13.144 5.02993 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 683 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.0153 13.144 5.02993 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4404 13.144 5.02993 0.02805 protocols.relax.FastRelax: CMD: min -102.53 13.118 5.30071 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.53 13.118 5.30071 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.7208 13.118 5.30071 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 684 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.5349 13.118 5.30071 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.2846 13.118 5.30071 0.154 protocols.relax.FastRelax: CMD: min -86.0375 13.0865 5.13871 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0375 13.0865 5.13871 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.5906 13.0865 5.13871 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 635 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.9705 13.0865 5.13871 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.6872 13.0865 5.13871 0.31955 protocols.relax.FastRelax: CMD: min -73.5532 13.1072 5.05381 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.5532 13.1072 5.05381 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.3638 13.1072 5.05381 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 615 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.5253 13.1072 5.05381 0.55 protocols.relax.FastRelax: CMD: min -62.8083 13.1374 5.02162 0.55 protocols.relax.FastRelax: MRP: 4 -62.8083 -63.3324 13.146 5.01432 protocols.relax.FastRelax: CMD: accept_to_best -62.8083 13.1374 5.02162 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.8083 13.1374 5.02162 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_21.pdb protocols.relax.FastRelax: CMD: repeat 9499.17 14.3269 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9499.17 14.3269 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1857.59 14.3269 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 594 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 6.22159 14.3269 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 9.11746 14.3269 0 0.02805 protocols.relax.FastRelax: CMD: min -32.8663 14.4893 2.11376 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.8663 14.4893 2.11376 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -2.76464 14.4893 2.11376 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.10935 14.4893 2.11376 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.15844 14.4893 2.11376 0.154 protocols.relax.FastRelax: CMD: min -35.6448 14.2316 3.33761 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.6448 14.2316 3.33761 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.9496 14.2316 3.33761 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.2728 14.2316 3.33761 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.4762 14.2316 3.33761 0.31955 protocols.relax.FastRelax: CMD: min -25.7774 14.2342 3.34465 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.7774 14.2342 3.34465 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.0055 14.2342 3.34465 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 612 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.0553 14.2342 3.34465 0.55 protocols.relax.FastRelax: CMD: min -35.3998 14.3413 4.08495 0.55 protocols.relax.FastRelax: MRP: 0 -35.3998 -35.3998 14.3413 4.08495 protocols.relax.FastRelax: CMD: accept_to_best -35.3998 14.3413 4.08495 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.3998 14.3413 4.08495 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.3998 14.3413 4.08495 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3805 14.3413 4.08495 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 608 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.2831 14.3413 4.08495 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -56.9539 14.3413 4.08495 0.02805 protocols.relax.FastRelax: CMD: min -68.844 14.2841 4.04808 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -68.844 14.2841 4.04808 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2568 14.2841 4.04808 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.9144 14.2841 4.04808 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0316 14.2841 4.04808 0.154 protocols.relax.FastRelax: CMD: min -55.3429 14.4681 4.212 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3429 14.4681 4.212 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9742 14.4681 4.212 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 648 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.026 14.4681 4.212 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1321 14.4681 4.212 0.31955 protocols.relax.FastRelax: CMD: min -46.0538 14.4676 4.23691 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -46.0538 14.4676 4.23691 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.1791 14.4676 4.23691 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.2363 14.4676 4.23691 0.55 protocols.relax.FastRelax: CMD: min -44.7625 15.1908 3.59391 0.55 protocols.relax.FastRelax: MRP: 1 -44.7625 -44.7625 15.1908 3.59391 protocols.relax.FastRelax: CMD: accept_to_best -44.7625 15.1908 3.59391 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.7625 15.1908 3.59391 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.7625 15.1908 3.59391 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.374 15.1908 3.59391 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.2825 15.1908 3.59391 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8585 15.1908 3.59391 0.02805 protocols.relax.FastRelax: CMD: min -76.0587 15.1236 3.69924 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.0587 15.1236 3.69924 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.1259 15.1236 3.69924 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.6533 15.1236 3.69924 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4028 15.1236 3.69924 0.154 protocols.relax.FastRelax: CMD: min -62.5395 15.1813 3.63213 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.5395 15.1813 3.63213 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.9018 15.1813 3.63213 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.4271 15.1813 3.63213 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4734 15.1813 3.63213 0.31955 protocols.relax.FastRelax: CMD: min -52.8718 15.2668 3.72616 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.8718 15.2668 3.72616 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.0307 15.2668 3.72616 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.1849 15.2668 3.72616 0.55 protocols.relax.FastRelax: CMD: min -44.6975 15.1918 3.58121 0.55 protocols.relax.FastRelax: MRP: 2 -44.6975 -44.7625 15.1908 3.59391 protocols.relax.FastRelax: CMD: accept_to_best -44.6975 15.1918 3.58121 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.6975 15.1918 3.58121 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.6975 15.1918 3.58121 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.3251 15.1918 3.58121 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.3172 15.1918 3.58121 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8801 15.1918 3.58121 0.02805 protocols.relax.FastRelax: CMD: min -75.6979 15.1187 3.74345 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.6979 15.1187 3.74345 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.007 15.1187 3.74345 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.2931 15.1187 3.74345 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2952 15.1187 3.74345 0.154 protocols.relax.FastRelax: CMD: min -63.3983 15.2314 3.67367 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3983 15.2314 3.67367 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5776 15.2314 3.67367 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.5781 15.2314 3.67367 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5671 15.2314 3.67367 0.31955 protocols.relax.FastRelax: CMD: min -52.2101 15.2515 3.70719 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2101 15.2515 3.70719 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8676 15.2515 3.70719 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.9453 15.2515 3.70719 0.55 protocols.relax.FastRelax: CMD: min -44.3485 15.2122 3.45204 0.55 protocols.relax.FastRelax: MRP: 3 -44.3485 -44.7625 15.1908 3.59391 protocols.relax.FastRelax: CMD: accept_to_best -44.3485 15.2122 3.45204 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.3485 15.2122 3.45204 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.3485 15.2122 3.45204 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -64.884 15.2122 3.45204 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 626 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5166 15.2122 3.45204 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0983 15.2122 3.45204 0.02805 protocols.relax.FastRelax: CMD: min -78.3185 15.1979 3.64853 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -78.3185 15.1979 3.64853 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1969 15.1979 3.64853 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.6092 15.1979 3.64853 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.9452 15.1979 3.64853 0.154 protocols.relax.FastRelax: CMD: min -63.5243 15.2801 3.64038 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5243 15.2801 3.64038 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.882 15.2801 3.64038 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 560 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8823 15.2801 3.64038 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.9643 15.2801 3.64038 0.31955 protocols.relax.FastRelax: CMD: min -51.5573 15.2722 3.6413 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.5573 15.2722 3.6413 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2428 15.2722 3.6413 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2929 15.2722 3.6413 0.55 protocols.relax.FastRelax: CMD: min -44.352 15.2061 3.44624 0.55 protocols.relax.FastRelax: MRP: 4 -44.352 -44.7625 15.1908 3.59391 protocols.relax.FastRelax: CMD: accept_to_best -44.352 15.2061 3.44624 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.352 15.2061 3.44624 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_10.pdb protocols.relax.FastRelax: CMD: repeat 10737.7 11.7697 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10737.7 11.7697 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1952.14 11.7697 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.89046 11.7697 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 2.35071 11.7697 0 0.02805 protocols.relax.FastRelax: CMD: min -71.0475 11.0701 2.01339 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -71.0475 11.0701 2.01339 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -12.7226 11.0701 2.01339 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.0856 11.0701 2.01339 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.3976 11.0701 2.01339 0.154 protocols.relax.FastRelax: CMD: min -52.3271 11.0991 2.28218 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.3271 11.0991 2.28218 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.9071 11.0991 2.28218 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.1197 11.0991 2.28218 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.6798 11.0991 2.28218 0.31955 protocols.relax.FastRelax: CMD: min -36.4063 11.0921 2.3943 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.4063 11.0921 2.3943 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.8914 11.0921 2.3943 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.9969 11.0921 2.3943 0.55 protocols.relax.FastRelax: CMD: min -47.3463 10.8055 4.23352 0.55 protocols.relax.FastRelax: MRP: 0 -47.3463 -47.3463 10.8055 4.23352 protocols.relax.FastRelax: CMD: accept_to_best -47.3463 10.8055 4.23352 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.3463 10.8055 4.23352 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.3463 10.8055 4.23352 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1204 10.8055 4.23352 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.2655 10.8055 4.23352 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6715 10.8055 4.23352 0.02805 protocols.relax.FastRelax: CMD: min -109.228 10.7895 4.80907 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.228 10.7895 4.80907 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7389 10.7895 4.80907 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.1873 10.7895 4.80907 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.4824 10.7895 4.80907 0.154 protocols.relax.FastRelax: CMD: min -80.125 10.8196 4.73132 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.125 10.8196 4.73132 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6415 10.8196 4.73132 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.7616 10.8196 4.73132 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2323 10.8196 4.73132 0.31955 protocols.relax.FastRelax: CMD: min -63.5033 10.8068 4.72284 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5033 10.8068 4.72284 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7947 10.8068 4.72284 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.8 10.8068 4.72284 0.55 protocols.relax.FastRelax: CMD: min -57.8957 10.938 4.87681 0.55 protocols.relax.FastRelax: MRP: 1 -57.8957 -57.8957 10.938 4.87681 protocols.relax.FastRelax: CMD: accept_to_best -57.8957 10.938 4.87681 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8957 10.938 4.87681 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8957 10.938 4.87681 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.8059 10.938 4.87681 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.4308 10.938 4.87681 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.9527 10.938 4.87681 0.02805 protocols.relax.FastRelax: CMD: min -116.417 10.9335 5.05436 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.417 10.9335 5.05436 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.9397 10.9335 5.05436 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.6581 10.9335 5.05436 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.9821 10.9335 5.05436 0.154 protocols.relax.FastRelax: CMD: min -89.1855 10.8825 4.9537 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1855 10.8825 4.9537 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3795 10.8825 4.9537 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.3995 10.8825 4.9537 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.6815 10.8825 4.9537 0.31955 protocols.relax.FastRelax: CMD: min -72.7478 10.8594 4.88819 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7478 10.8594 4.88819 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4238 10.8594 4.88819 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.4561 10.8594 4.88819 0.55 protocols.relax.FastRelax: CMD: min -62.2991 10.8045 4.95083 0.55 protocols.relax.FastRelax: MRP: 2 -62.2991 -62.2991 10.8045 4.95083 protocols.relax.FastRelax: CMD: accept_to_best -62.2991 10.8045 4.95083 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.2991 10.8045 4.95083 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.2991 10.8045 4.95083 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.8363 10.8045 4.95083 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.1483 10.8045 4.95083 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.3418 10.8045 4.95083 0.02805 protocols.relax.FastRelax: CMD: min -121.772 10.8246 5.08752 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.772 10.8246 5.08752 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.1227 10.8246 5.08752 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.9218 10.8246 5.08752 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2424 10.8246 5.08752 0.154 protocols.relax.FastRelax: CMD: min -94.173 10.8106 5.03299 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.173 10.8106 5.03299 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1963 10.8106 5.03299 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.2105 10.8106 5.03299 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.5567 10.8106 5.03299 0.31955 protocols.relax.FastRelax: CMD: min -76.0236 10.7964 4.98464 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.0236 10.7964 4.98464 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6166 10.7964 4.98464 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.619 10.7964 4.98464 0.55 protocols.relax.FastRelax: CMD: min -64.1565 10.6392 5.02827 0.55 protocols.relax.FastRelax: MRP: 3 -64.1565 -64.1565 10.6392 5.02827 protocols.relax.FastRelax: CMD: accept_to_best -64.1565 10.6392 5.02827 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.1565 10.6392 5.02827 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.1565 10.6392 5.02827 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.0057 10.6392 5.02827 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.223 10.6392 5.02827 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.8116 10.6392 5.02827 0.02805 protocols.relax.FastRelax: CMD: min -122.412 10.6512 5.24719 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.412 10.6512 5.24719 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1293 10.6512 5.24719 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.2979 10.6512 5.24719 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.4205 10.6512 5.24719 0.154 protocols.relax.FastRelax: CMD: min -94.9465 10.622 5.17269 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9465 10.622 5.17269 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0745 10.622 5.17269 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.3762 10.622 5.17269 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.7827 10.622 5.17269 0.31955 protocols.relax.FastRelax: CMD: min -78.1865 10.603 5.13604 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.1865 10.603 5.13604 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.8273 10.603 5.13604 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.8393 10.603 5.13604 0.55 protocols.relax.FastRelax: CMD: min -65.1639 10.5664 5.28056 0.55 protocols.relax.FastRelax: MRP: 4 -65.1639 -65.1639 10.5664 5.28056 protocols.relax.FastRelax: CMD: accept_to_best -65.1639 10.5664 5.28056 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.1639 10.5664 5.28056 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_11.pdb protocols.relax.FastRelax: CMD: repeat 11082.1 13.5036 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11082.1 13.5036 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2124.79 13.5036 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 39.6635 13.5036 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 53.5544 13.5036 0 0.02805 protocols.relax.FastRelax: CMD: min -58.5707 12.4623 3.42127 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.5707 12.4623 3.42127 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.97567 12.4623 3.42127 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.51103 12.4623 3.42127 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -3.92551 12.4623 3.42127 0.154 protocols.relax.FastRelax: CMD: min -37.4995 12.2819 3.56151 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -37.4995 12.2819 3.56151 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.698 12.2819 3.56151 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 563 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.8379 12.2819 3.56151 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5285 12.2819 3.56151 0.31955 protocols.relax.FastRelax: CMD: min -24.9163 12.4048 3.46142 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.9163 12.4048 3.46142 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.19493 12.4048 3.46142 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.22547 12.4048 3.46142 0.55 protocols.relax.FastRelax: CMD: min -29.301 12.6338 3.92243 0.55 protocols.relax.FastRelax: MRP: 0 -29.301 -29.301 12.6338 3.92243 protocols.relax.FastRelax: CMD: accept_to_best -29.301 12.6338 3.92243 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.301 12.6338 3.92243 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.301 12.6338 3.92243 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2116 12.6338 3.92243 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 625 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1721 12.6338 3.92243 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8556 12.6338 3.92243 0.02805 protocols.relax.FastRelax: CMD: min -75.4527 12.3933 4.60398 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.4527 12.3933 4.60398 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.421 12.3933 4.60398 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 660 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2446 12.3933 4.60398 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.6362 12.3933 4.60398 0.154 protocols.relax.FastRelax: CMD: min -53.9212 12.4627 4.57102 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -53.9212 12.4627 4.57102 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.3365 12.4627 4.57102 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.341 12.4627 4.57102 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0338 12.4627 4.57102 0.31955 protocols.relax.FastRelax: CMD: min -43.8417 12.5236 4.90998 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.8417 12.5236 4.90998 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1418 12.5236 4.90998 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.1682 12.5236 4.90998 0.55 protocols.relax.FastRelax: CMD: min -38.1558 12.5559 5.26545 0.55 protocols.relax.FastRelax: MRP: 1 -38.1558 -38.1558 12.5559 5.26545 protocols.relax.FastRelax: CMD: accept_to_best -38.1558 12.5559 5.26545 0.55 protocols.relax.FastRelax: CMD: endrepeat -38.1558 12.5559 5.26545 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -38.1558 12.5559 5.26545 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.03 12.5559 5.26545 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 668 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.4608 12.5559 5.26545 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1606 12.5559 5.26545 0.02805 protocols.relax.FastRelax: CMD: min -91.9235 12.2305 6.20154 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.9235 12.2305 6.20154 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.3629 12.2305 6.20154 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 740 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.1695 12.2305 6.20154 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4652 12.2305 6.20154 0.154 protocols.relax.FastRelax: CMD: min -67.6916 12.218 6.41528 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6916 12.218 6.41528 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.0444 12.218 6.41528 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 675 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.1778 12.218 6.41528 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.7256 12.218 6.41528 0.31955 protocols.relax.FastRelax: CMD: min -49.809 12.2354 6.37263 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.809 12.2354 6.37263 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.8769 12.2354 6.37263 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 672 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.1412 12.2354 6.37263 0.55 protocols.relax.FastRelax: CMD: min -42.9585 12.3251 6.45922 0.55 protocols.relax.FastRelax: MRP: 2 -42.9585 -42.9585 12.3251 6.45922 protocols.relax.FastRelax: CMD: accept_to_best -42.9585 12.3251 6.45922 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.9585 12.3251 6.45922 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.9585 12.3251 6.45922 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.3954 12.3251 6.45922 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 764 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.364 12.3251 6.45922 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7084 12.3251 6.45922 0.02805 protocols.relax.FastRelax: CMD: min -80.3184 12.2396 6.62199 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.3184 12.2396 6.62199 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.5866 12.2396 6.62199 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 644 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.9625 12.2396 6.62199 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.2922 12.2396 6.62199 0.154 protocols.relax.FastRelax: CMD: min -69.649 12.2768 6.5521 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.649 12.2768 6.5521 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3026 12.2768 6.5521 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 685 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.4231 12.2768 6.5521 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3219 12.2768 6.5521 0.31955 protocols.relax.FastRelax: CMD: min -56.9467 12.3028 6.49145 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.9467 12.3028 6.49145 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3156 12.3028 6.49145 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 673 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.3329 12.3028 6.49145 0.55 protocols.relax.FastRelax: CMD: min -47.8411 12.3212 6.44917 0.55 protocols.relax.FastRelax: MRP: 3 -47.8411 -47.8411 12.3212 6.44917 protocols.relax.FastRelax: CMD: accept_to_best -47.8411 12.3212 6.44917 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.8411 12.3212 6.44917 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.8411 12.3212 6.44917 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.5776 12.3212 6.44917 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 785 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.1016 12.3212 6.44917 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6755 12.3212 6.44917 0.02805 protocols.relax.FastRelax: CMD: min -92.0214 12.231 6.59534 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.0214 12.231 6.59534 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5914 12.231 6.59534 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 769 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0642 12.231 6.59534 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.3943 12.231 6.59534 0.154 protocols.relax.FastRelax: CMD: min -76.4609 12.2514 6.57468 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4609 12.2514 6.57468 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.4442 12.2514 6.57468 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 688 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.4443 12.2514 6.57468 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.181 12.2514 6.57468 0.31955 protocols.relax.FastRelax: CMD: min -61.0516 12.3034 6.50766 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.0516 12.3034 6.50766 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.0343 12.3034 6.50766 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 687 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.724 12.3034 6.50766 0.55 protocols.relax.FastRelax: CMD: min -52.7357 12.3468 6.42416 0.55 protocols.relax.FastRelax: MRP: 4 -52.7357 -52.7357 12.3468 6.42416 protocols.relax.FastRelax: CMD: accept_to_best -52.7357 12.3468 6.42416 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.7357 12.3468 6.42416 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_35.pdb protocols.relax.FastRelax: CMD: repeat 10450.6 14.4395 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10450.6 14.4395 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1879.14 14.4395 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 23.8882 14.4395 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 28.5976 14.4395 0 0.02805 protocols.relax.FastRelax: CMD: min -64.5749 13.5221 2.49843 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -64.5749 13.5221 2.49843 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 10.4308 13.5221 2.49843 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.202 13.5221 2.49843 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3273 13.5221 2.49843 0.154 protocols.relax.FastRelax: CMD: min -53.5032 13.622 2.63814 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -53.5032 13.622 2.63814 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.274 13.622 2.63814 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.6896 13.622 2.63814 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.4476 13.622 2.63814 0.31955 protocols.relax.FastRelax: CMD: min -39.8081 13.6516 2.62807 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.8081 13.6516 2.62807 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.2687 13.6516 2.62807 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.4228 13.6516 2.62807 0.55 protocols.relax.FastRelax: CMD: min -42.0955 14.0024 3.21225 0.55 protocols.relax.FastRelax: MRP: 0 -42.0955 -42.0955 14.0024 3.21225 protocols.relax.FastRelax: CMD: accept_to_best -42.0955 14.0024 3.21225 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.0955 14.0024 3.21225 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.0955 14.0024 3.21225 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7417 14.0024 3.21225 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.8527 14.0024 3.21225 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1783 14.0024 3.21225 0.02805 protocols.relax.FastRelax: CMD: min -90.3047 13.7739 3.49091 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.3047 13.7739 3.49091 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5356 13.7739 3.49091 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 622 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.1706 13.7739 3.49091 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9708 13.7739 3.49091 0.154 protocols.relax.FastRelax: CMD: min -67.7512 13.8779 3.35286 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.7512 13.8779 3.35286 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.4047 13.8779 3.35286 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 610 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.5405 13.8779 3.35286 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.2866 13.8779 3.35286 0.31955 protocols.relax.FastRelax: CMD: min -53.1631 13.9624 3.29827 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.1631 13.9624 3.29827 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3556 13.9624 3.29827 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 609 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.5371 13.9624 3.29827 0.55 protocols.relax.FastRelax: CMD: min -49.9859 14.1189 3.54688 0.55 protocols.relax.FastRelax: MRP: 1 -49.9859 -49.9859 14.1189 3.54688 protocols.relax.FastRelax: CMD: accept_to_best -49.9859 14.1189 3.54688 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.9859 14.1189 3.54688 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.9859 14.1189 3.54688 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0682 14.1189 3.54688 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.8354 14.1189 3.54688 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1809 14.1189 3.54688 0.02805 protocols.relax.FastRelax: CMD: min -95.5565 13.9763 3.57355 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.5565 13.9763 3.57355 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.7328 13.9763 3.57355 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 577 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.8787 13.9763 3.57355 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.1741 13.9763 3.57355 0.154 protocols.relax.FastRelax: CMD: min -74.3765 14.0964 3.37995 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.3765 14.0964 3.37995 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.8458 14.0964 3.37995 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3246 14.0964 3.37995 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1149 14.0964 3.37995 0.31955 protocols.relax.FastRelax: CMD: min -61.7021 14.1617 3.33932 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.7021 14.1617 3.33932 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.776 14.1617 3.33932 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.9256 14.1617 3.33932 0.55 protocols.relax.FastRelax: CMD: min -50.804 14.3262 2.88645 0.55 protocols.relax.FastRelax: MRP: 2 -50.804 -50.804 14.3262 2.88645 protocols.relax.FastRelax: CMD: accept_to_best -50.804 14.3262 2.88645 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.804 14.3262 2.88645 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.804 14.3262 2.88645 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8954 14.3262 2.88645 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.6406 14.3262 2.88645 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9717 14.3262 2.88645 0.02805 protocols.relax.FastRelax: CMD: min -92.5269 14.0551 3.3641 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.5269 14.0551 3.3641 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8299 14.0551 3.3641 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5906 14.0551 3.3641 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.795 14.0551 3.3641 0.154 protocols.relax.FastRelax: CMD: min -74.8012 14.1616 3.07067 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.8012 14.1616 3.07067 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3002 14.1616 3.07067 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.6467 14.1616 3.07067 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4134 14.1616 3.07067 0.31955 protocols.relax.FastRelax: CMD: min -62.5141 14.2632 2.94078 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.5141 14.2632 2.94078 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.4358 14.2632 2.94078 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.5601 14.2632 2.94078 0.55 protocols.relax.FastRelax: CMD: min -50.9234 14.3242 2.86883 0.55 protocols.relax.FastRelax: MRP: 3 -50.9234 -50.9234 14.3242 2.86883 protocols.relax.FastRelax: CMD: accept_to_best -50.9234 14.3242 2.86883 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.9234 14.3242 2.86883 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9234 14.3242 2.86883 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.86 14.3242 2.86883 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.6308 14.3242 2.86883 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9753 14.3242 2.86883 0.02805 protocols.relax.FastRelax: CMD: min -95.6677 14.0604 3.2822 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.6677 14.0604 3.2822 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3176 14.0604 3.2822 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.4661 14.0604 3.2822 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5129 14.0604 3.2822 0.154 protocols.relax.FastRelax: CMD: min -75.0088 14.1867 3.02945 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0088 14.1867 3.02945 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4911 14.1867 3.02945 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.7929 14.1867 3.02945 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.5651 14.1867 3.02945 0.31955 protocols.relax.FastRelax: CMD: min -62.1198 14.2717 2.91628 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.1198 14.2717 2.91628 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.4882 14.2717 2.91628 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.8779 14.2717 2.91628 0.55 protocols.relax.FastRelax: CMD: min -50.9094 14.3223 2.86842 0.55 protocols.relax.FastRelax: MRP: 4 -50.9094 -50.9234 14.3242 2.86883 protocols.relax.FastRelax: CMD: accept_to_best -50.9094 14.3223 2.86842 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.9094 14.3223 2.86842 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_30.pdb protocols.relax.FastRelax: CMD: repeat 7260.17 15.2534 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 7260.17 15.2534 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1727.85 15.2534 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 12.5082 15.2534 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 16.8853 15.2534 0 0.02805 protocols.relax.FastRelax: CMD: min -37.2141 16.8244 7.28342 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.2141 16.8244 7.28342 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -11.1568 16.8244 7.28342 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 594 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2558 16.8244 7.28342 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -13.6016 16.8244 7.28342 0.154 protocols.relax.FastRelax: CMD: min -31.1054 16.529 5.94871 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.1054 16.529 5.94871 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4828 16.529 5.94871 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.8142 16.529 5.94871 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.8857 16.529 5.94871 0.31955 protocols.relax.FastRelax: CMD: min -20.248 16.5682 6.11835 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -20.248 16.5682 6.11835 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.4142 16.5682 6.11835 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.41891 16.5682 6.11835 0.55 protocols.relax.FastRelax: CMD: min -22.5132 16.036 5.9183 0.55 protocols.relax.FastRelax: MRP: 0 -22.5132 -22.5132 16.036 5.9183 protocols.relax.FastRelax: CMD: accept_to_best -22.5132 16.036 5.9183 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.5132 16.036 5.9183 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.5132 16.036 5.9183 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -44.2296 16.036 5.9183 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.8279 16.036 5.9183 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5692 16.036 5.9183 0.02805 protocols.relax.FastRelax: CMD: min -50.7523 15.9756 5.98734 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -50.7523 15.9756 5.98734 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.0947 15.9756 5.98734 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.1011 15.9756 5.98734 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -41.495 15.9756 5.98734 0.154 protocols.relax.FastRelax: CMD: min -41.6722 15.9714 5.98663 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -41.6722 15.9714 5.98663 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5058 15.9714 5.98663 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.5124 15.9714 5.98663 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -29.6327 15.9714 5.98663 0.31955 protocols.relax.FastRelax: CMD: min -34.5062 15.9897 5.98539 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.5062 15.9897 5.98539 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.2782 15.9897 5.98539 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.3136 15.9897 5.98539 0.55 protocols.relax.FastRelax: CMD: min -28.1737 16.1577 7.75965 0.55 protocols.relax.FastRelax: MRP: 1 -28.1737 -28.1737 16.1577 7.75965 protocols.relax.FastRelax: CMD: accept_to_best -28.1737 16.1577 7.75965 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.1737 16.1577 7.75965 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.1737 16.1577 7.75965 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -50.6967 16.1577 7.75965 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.2202 16.1577 7.75965 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -50.95 16.1577 7.75965 0.02805 protocols.relax.FastRelax: CMD: min -77.8803 15.5565 7.33095 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.8803 15.5565 7.33095 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.1413 15.5565 7.33095 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 549 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.2279 15.5565 7.33095 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.095 15.5565 7.33095 0.154 protocols.relax.FastRelax: CMD: min -55.487 15.727 7.39518 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.487 15.727 7.39518 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8582 15.727 7.39518 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9218 15.727 7.39518 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.4585 15.727 7.39518 0.31955 protocols.relax.FastRelax: CMD: min -41.1945 15.8065 7.40224 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1945 15.8065 7.40224 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.2065 15.8065 7.40224 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.3653 15.8065 7.40224 0.55 protocols.relax.FastRelax: CMD: min -32.3335 16.2272 7.75393 0.55 protocols.relax.FastRelax: MRP: 2 -32.3335 -32.3335 16.2272 7.75393 protocols.relax.FastRelax: CMD: accept_to_best -32.3335 16.2272 7.75393 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.3335 16.2272 7.75393 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.3335 16.2272 7.75393 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5866 16.2272 7.75393 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 577 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.1633 16.2272 7.75393 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -56.8728 16.2272 7.75393 0.02805 protocols.relax.FastRelax: CMD: min -77.3036 15.6395 7.39935 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.3036 15.6395 7.39935 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.0854 15.6395 7.39935 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.362 15.6395 7.39935 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.067 15.6395 7.39935 0.154 protocols.relax.FastRelax: CMD: min -54.8893 15.9264 7.51079 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -54.8893 15.9264 7.51079 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8367 15.9264 7.51079 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.2261 15.9264 7.51079 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8042 15.9264 7.51079 0.31955 protocols.relax.FastRelax: CMD: min -43.327 16.0558 7.53045 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.327 16.0558 7.53045 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9321 16.0558 7.53045 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.9334 16.0558 7.53045 0.55 protocols.relax.FastRelax: CMD: min -32.3447 16.2359 7.80249 0.55 protocols.relax.FastRelax: MRP: 3 -32.3447 -32.3447 16.2359 7.80249 protocols.relax.FastRelax: CMD: accept_to_best -32.3447 16.2359 7.80249 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.3447 16.2359 7.80249 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.3447 16.2359 7.80249 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5874 16.2359 7.80249 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.1775 16.2359 7.80249 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -56.887 16.2359 7.80249 0.02805 protocols.relax.FastRelax: CMD: min -73.6118 15.8306 7.59968 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6118 15.8306 7.59968 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.4357 15.8306 7.59968 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.6503 15.8306 7.59968 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.9204 15.8306 7.59968 0.154 protocols.relax.FastRelax: CMD: min -54.9518 15.9853 7.75633 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -54.9518 15.9853 7.75633 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.5871 15.9853 7.75633 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.0188 15.9853 7.75633 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.9005 15.9853 7.75633 0.31955 protocols.relax.FastRelax: CMD: min -43.5419 16.0923 7.7227 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.5419 16.0923 7.7227 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.15 16.0923 7.7227 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.1762 16.0923 7.7227 0.55 protocols.relax.FastRelax: CMD: min -32.3452 16.2243 7.738 0.55 protocols.relax.FastRelax: MRP: 4 -32.3452 -32.3452 16.2243 7.738 protocols.relax.FastRelax: CMD: accept_to_best -32.3452 16.2243 7.738 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.3452 16.2243 7.738 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_32.pdb protocols.relax.FastRelax: CMD: repeat 9322.9 11.5345 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9322.9 11.5345 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1824.4 11.5345 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 11.8915 11.5345 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 20.2896 11.5345 0 0.02805 protocols.relax.FastRelax: CMD: min 26.4158 13.7083 5.72697 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 26.4158 13.7083 5.72697 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 436.725 13.7083 5.72697 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 88.8805 13.7083 5.72697 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 98.0912 13.7083 5.72697 0.154 protocols.relax.FastRelax: CMD: min -62.5124 13.9613 6.44259 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.5124 13.9613 6.44259 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.4463 13.9613 6.44259 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.5953 13.9613 6.44259 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1675 13.9613 6.44259 0.31955 protocols.relax.FastRelax: CMD: min -50.8789 13.9468 6.32172 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8789 13.9468 6.32172 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8094 13.9468 6.32172 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.9784 13.9468 6.32172 0.55 protocols.relax.FastRelax: CMD: min -67.0983 14.272 7.71295 0.55 protocols.relax.FastRelax: MRP: 0 -67.0983 -67.0983 14.272 7.71295 protocols.relax.FastRelax: CMD: accept_to_best -67.0983 14.272 7.71295 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.0983 14.272 7.71295 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.0983 14.272 7.71295 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.7944 14.272 7.71295 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.9037 14.272 7.71295 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.5992 14.272 7.71295 0.02805 protocols.relax.FastRelax: CMD: min -109.294 14.222 7.88795 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.294 14.222 7.88795 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1151 14.222 7.88795 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 588 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.5523 14.222 7.88795 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0073 14.222 7.88795 0.154 protocols.relax.FastRelax: CMD: min -85.4712 14.2934 8.01725 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.4712 14.2934 8.01725 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.8745 14.2934 8.01725 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.0765 14.2934 8.01725 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9311 14.2934 8.01725 0.31955 protocols.relax.FastRelax: CMD: min -73.9088 14.2702 7.9706 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.9088 14.2702 7.9706 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9346 14.2702 7.9706 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.9588 14.2702 7.9706 0.55 protocols.relax.FastRelax: CMD: min -67.387 14.3242 8.1576 0.55 protocols.relax.FastRelax: MRP: 1 -67.387 -67.387 14.3242 8.1576 protocols.relax.FastRelax: CMD: accept_to_best -67.387 14.3242 8.1576 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.387 14.3242 8.1576 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.387 14.3242 8.1576 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.6702 14.3242 8.1576 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.6123 14.3242 8.1576 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.1748 14.3242 8.1576 0.02805 protocols.relax.FastRelax: CMD: min -112.564 14.2861 8.2099 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -112.564 14.2861 8.2099 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.122 14.2861 8.2099 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 582 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.8164 14.2861 8.2099 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.1451 14.2861 8.2099 0.154 protocols.relax.FastRelax: CMD: min -90.446 14.2754 8.19899 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.446 14.2754 8.19899 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.7307 14.2754 8.19899 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.9384 14.2754 8.19899 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7814 14.2754 8.19899 0.31955 protocols.relax.FastRelax: CMD: min -77.1022 14.2749 8.19995 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.1022 14.2749 8.19995 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7709 14.2749 8.19995 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.523 14.2749 8.19995 0.55 protocols.relax.FastRelax: CMD: min -69.4582 14.325 8.16212 0.55 protocols.relax.FastRelax: MRP: 2 -69.4582 -69.4582 14.325 8.16212 protocols.relax.FastRelax: CMD: accept_to_best -69.4582 14.325 8.16212 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.4582 14.325 8.16212 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4582 14.325 8.16212 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.4338 14.325 8.16212 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.1098 14.325 8.16212 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.5973 14.325 8.16212 0.02805 protocols.relax.FastRelax: CMD: min -118.758 14.2431 8.24882 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.758 14.2431 8.24882 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7666 14.2431 8.24882 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.0686 14.2431 8.24882 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.1343 14.2431 8.24882 0.154 protocols.relax.FastRelax: CMD: min -89.0123 14.2346 8.15451 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.0123 14.2346 8.15451 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5681 14.2346 8.15451 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 584 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.789 14.2346 8.15451 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3609 14.2346 8.15451 0.31955 protocols.relax.FastRelax: CMD: min -78.186 14.2551 8.1344 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.186 14.2551 8.1344 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6997 14.2551 8.1344 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.7483 14.2551 8.1344 0.55 protocols.relax.FastRelax: CMD: min -69.34 14.3084 8.15694 0.55 protocols.relax.FastRelax: MRP: 3 -69.34 -69.4582 14.325 8.16212 protocols.relax.FastRelax: CMD: accept_to_best -69.34 14.3084 8.15694 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.34 14.3084 8.15694 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.34 14.3084 8.15694 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9189 14.3084 8.15694 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 560 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.7445 14.3084 8.15694 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -96.2074 14.3084 8.15694 0.02805 protocols.relax.FastRelax: CMD: min -116.465 14.2258 8.23711 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.465 14.2258 8.23711 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9224 14.2258 8.23711 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 607 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.202 14.2258 8.23711 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6409 14.2258 8.23711 0.154 protocols.relax.FastRelax: CMD: min -93.9116 14.2656 8.2145 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.9116 14.2656 8.2145 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.8549 14.2656 8.2145 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.4192 14.2656 8.2145 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2101 14.2656 8.2145 0.31955 protocols.relax.FastRelax: CMD: min -80.5497 14.2537 8.15666 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.5497 14.2537 8.15666 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6164 14.2537 8.15666 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.6244 14.2537 8.15666 0.55 protocols.relax.FastRelax: CMD: min -69.3448 14.3097 8.16032 0.55 protocols.relax.FastRelax: MRP: 4 -69.3448 -69.4582 14.325 8.16212 protocols.relax.FastRelax: CMD: accept_to_best -69.3448 14.3097 8.16032 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.3448 14.3097 8.16032 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_20.pdb protocols.relax.FastRelax: CMD: repeat 12382.8 14.0665 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12382.8 14.0665 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2099.16 14.0665 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.42427 14.0665 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 10.7616 14.0665 0 0.02805 protocols.relax.FastRelax: CMD: min -36.646 13.7851 1.89375 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.646 13.7851 1.89375 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 26.2277 13.7851 1.89375 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.96084 13.7851 1.89375 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 11.773 13.7851 1.89375 0.154 protocols.relax.FastRelax: CMD: min -13.0589 13.2947 2.09737 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -13.0589 13.2947 2.09737 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 12.5635 13.2947 2.09737 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.11825 13.2947 2.09737 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 10.0404 13.2947 2.09737 0.31955 protocols.relax.FastRelax: CMD: min -55.5398 13.4881 2.43718 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.5398 13.4881 2.43718 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0881 13.4881 2.43718 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.0966 13.4881 2.43718 0.55 protocols.relax.FastRelax: CMD: min -71.9933 13.6799 2.48099 0.55 protocols.relax.FastRelax: MRP: 0 -71.9933 -71.9933 13.6799 2.48099 protocols.relax.FastRelax: CMD: accept_to_best -71.9933 13.6799 2.48099 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.9933 13.6799 2.48099 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.9933 13.6799 2.48099 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -99.1364 13.6799 2.48099 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.885 13.6799 2.48099 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.274 13.6799 2.48099 0.02805 protocols.relax.FastRelax: CMD: min -130.336 13.5721 2.60372 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -130.336 13.5721 2.60372 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9988 13.5721 2.60372 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 792 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.5226 13.5721 2.60372 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -85.0173 13.5721 2.60372 0.154 protocols.relax.FastRelax: CMD: min -106.957 13.6839 2.60702 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.957 13.6839 2.60702 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -89.1918 13.6839 2.60702 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 629 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.3229 13.6839 2.60702 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9451 13.6839 2.60702 0.31955 protocols.relax.FastRelax: CMD: min -91.8151 13.7267 2.58085 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.8151 13.7267 2.58085 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6184 13.7267 2.58085 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6798 13.7267 2.58085 0.55 protocols.relax.FastRelax: CMD: min -82.4254 13.4111 2.67865 0.55 protocols.relax.FastRelax: MRP: 1 -82.4254 -82.4254 13.4111 2.67865 protocols.relax.FastRelax: CMD: accept_to_best -82.4254 13.4111 2.67865 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.4254 13.4111 2.67865 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.4254 13.4111 2.67865 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.563 13.4111 2.67865 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 609 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.752 13.4111 2.67865 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -113.369 13.4111 2.67865 0.02805 protocols.relax.FastRelax: CMD: min -129.477 13.3759 2.91941 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.477 13.3759 2.91941 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -86.3786 13.3759 2.91941 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 773 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.7197 13.3759 2.91941 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9857 13.3759 2.91941 0.154 protocols.relax.FastRelax: CMD: min -110.645 13.3696 2.77897 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -110.645 13.3696 2.77897 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.3324 13.3696 2.77897 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 664 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.3004 13.3696 2.77897 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.9863 13.3696 2.77897 0.31955 protocols.relax.FastRelax: CMD: min -95.7203 13.3917 2.70347 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -95.7203 13.3917 2.70347 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2505 13.3917 2.70347 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.2589 13.3917 2.70347 0.55 protocols.relax.FastRelax: CMD: min -82.6988 13.4179 2.65752 0.55 protocols.relax.FastRelax: MRP: 2 -82.6988 -82.6988 13.4179 2.65752 protocols.relax.FastRelax: CMD: accept_to_best -82.6988 13.4179 2.65752 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.6988 13.4179 2.65752 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.6988 13.4179 2.65752 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.89 13.4179 2.65752 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 610 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.968 13.4179 2.65752 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -113.584 13.4179 2.65752 0.02805 protocols.relax.FastRelax: CMD: min -129.868 13.369 2.91278 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.868 13.369 2.91278 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4411 13.369 2.91278 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 723 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.7151 13.369 2.91278 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9211 13.369 2.91278 0.154 protocols.relax.FastRelax: CMD: min -110.488 13.3903 2.75035 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -110.488 13.3903 2.75035 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.1809 13.3903 2.75035 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 667 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.7233 13.3903 2.75035 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.383 13.3903 2.75035 0.31955 protocols.relax.FastRelax: CMD: min -95.8193 13.4017 2.6969 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -95.8193 13.4017 2.6969 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9723 13.4017 2.6969 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 571 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.9771 13.4017 2.6969 0.55 protocols.relax.FastRelax: CMD: min -82.7315 13.4175 2.65866 0.55 protocols.relax.FastRelax: MRP: 3 -82.7315 -82.7315 13.4175 2.65866 protocols.relax.FastRelax: CMD: accept_to_best -82.7315 13.4175 2.65866 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.7315 13.4175 2.65866 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.7315 13.4175 2.65866 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.927 13.4175 2.65866 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.005 13.4175 2.65866 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -113.62 13.4175 2.65866 0.02805 protocols.relax.FastRelax: CMD: min -129.814 13.3729 2.91391 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.814 13.3729 2.91391 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4388 13.3729 2.91391 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 775 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.8051 13.3729 2.91391 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -85.9497 13.3729 2.91391 0.154 protocols.relax.FastRelax: CMD: min -111.149 13.3539 2.78059 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -111.149 13.3539 2.78059 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.0273 13.3539 2.78059 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 666 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.7411 13.3539 2.78059 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.381 13.3539 2.78059 0.31955 protocols.relax.FastRelax: CMD: min -96.0105 13.4012 2.68842 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -96.0105 13.4012 2.68842 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6041 13.4012 2.68842 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.6062 13.4012 2.68842 0.55 protocols.relax.FastRelax: CMD: min -82.7348 13.4199 2.65622 0.55 protocols.relax.FastRelax: MRP: 4 -82.7348 -82.7348 13.4199 2.65622 protocols.relax.FastRelax: CMD: accept_to_best -82.7348 13.4199 2.65622 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.7348 13.4199 2.65622 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_18.pdb protocols.relax.FastRelax: CMD: repeat 11506.7 12.778 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11506.7 12.778 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1899.35 12.778 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.88722 12.778 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -0.347046 12.778 0 0.02805 protocols.relax.FastRelax: CMD: min -38.8362 11.92 2.12678 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -38.8362 11.92 2.12678 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 25.0239 11.92 2.12678 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 16.0432 11.92 2.12678 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 19.455 11.92 2.12678 0.154 protocols.relax.FastRelax: CMD: min -62.1165 11.6277 2.7578 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.1165 11.6277 2.7578 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.2984 11.6277 2.7578 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2561 11.6277 2.7578 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.3018 11.6277 2.7578 0.31955 protocols.relax.FastRelax: CMD: min -50.5521 11.6675 2.70593 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.5521 11.6675 2.70593 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9325 11.6675 2.70593 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.0998 11.6675 2.70593 0.55 protocols.relax.FastRelax: CMD: min -68.4409 11.849 2.17839 0.55 protocols.relax.FastRelax: MRP: 0 -68.4409 -68.4409 11.849 2.17839 protocols.relax.FastRelax: CMD: accept_to_best -68.4409 11.849 2.17839 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.4409 11.849 2.17839 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.4409 11.849 2.17839 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.8568 11.849 2.17839 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.4172 11.849 2.17839 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.0879 11.849 2.17839 0.02805 protocols.relax.FastRelax: CMD: min -95.3738 11.7129 2.4476 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.3738 11.7129 2.4476 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8791 11.7129 2.4476 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6047 11.7129 2.4476 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1948 11.7129 2.4476 0.154 protocols.relax.FastRelax: CMD: min -84.5127 11.7873 2.32693 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.5127 11.7873 2.32693 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6831 11.7873 2.32693 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.9727 11.7873 2.32693 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1184 11.7873 2.32693 0.31955 protocols.relax.FastRelax: CMD: min -75.2332 11.8166 2.2912 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.2332 11.8166 2.2912 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1088 11.8166 2.2912 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.5258 11.8166 2.2912 0.55 protocols.relax.FastRelax: CMD: min -67.993 11.8554 2.17611 0.55 protocols.relax.FastRelax: MRP: 1 -67.993 -68.4409 11.849 2.17839 protocols.relax.FastRelax: CMD: accept_to_best -67.993 11.8554 2.17611 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.993 11.8554 2.17611 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.993 11.8554 2.17611 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.395 11.8554 2.17611 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.7111 11.8554 2.17611 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3522 11.8554 2.17611 0.02805 protocols.relax.FastRelax: CMD: min -104.807 11.3978 2.80017 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.807 11.3978 2.80017 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.954 11.3978 2.80017 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.3582 11.3978 2.80017 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0192 11.3978 2.80017 0.154 protocols.relax.FastRelax: CMD: min -89.1683 11.4949 2.70334 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1683 11.4949 2.70334 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1579 11.4949 2.70334 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.1627 11.4949 2.70334 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1372 11.4949 2.70334 0.31955 protocols.relax.FastRelax: CMD: min -77.7234 11.5716 2.59076 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.7234 11.5716 2.59076 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.4248 11.5716 2.59076 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6959 11.5716 2.59076 0.55 protocols.relax.FastRelax: CMD: min -72.7787 11.5299 2.83677 0.55 protocols.relax.FastRelax: MRP: 2 -72.7787 -72.7787 11.5299 2.83677 protocols.relax.FastRelax: CMD: accept_to_best -72.7787 11.5299 2.83677 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.7787 11.5299 2.83677 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7787 11.5299 2.83677 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.363 11.5299 2.83677 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 528 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.7276 11.5299 2.83677 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.4366 11.5299 2.83677 0.02805 protocols.relax.FastRelax: CMD: min -107.934 11.2751 3.02443 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.934 11.2751 3.02443 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.4191 11.2751 3.02443 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.3655 11.2751 3.02443 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9538 11.2751 3.02443 0.154 protocols.relax.FastRelax: CMD: min -92.9458 11.4258 2.91308 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.9458 11.4258 2.91308 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.6547 11.4258 2.91308 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.6354 11.4258 2.91308 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6662 11.4258 2.91308 0.31955 protocols.relax.FastRelax: CMD: min -81.4872 11.4976 2.83733 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4872 11.4976 2.83733 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7795 11.4976 2.83733 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.8342 11.4976 2.83733 0.55 protocols.relax.FastRelax: CMD: min -72.9531 11.5336 2.85686 0.55 protocols.relax.FastRelax: MRP: 3 -72.9531 -72.9531 11.5336 2.85686 protocols.relax.FastRelax: CMD: accept_to_best -72.9531 11.5336 2.85686 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.9531 11.5336 2.85686 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.9531 11.5336 2.85686 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5282 11.5336 2.85686 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.8955 11.5336 2.85686 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.5947 11.5336 2.85686 0.02805 protocols.relax.FastRelax: CMD: min -105.823 11.3251 2.92634 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.823 11.3251 2.92634 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7707 11.3251 2.92634 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0954 11.3251 2.92634 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3074 11.3251 2.92634 0.154 protocols.relax.FastRelax: CMD: min -93.0459 11.4743 2.85899 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.0459 11.4743 2.85899 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6268 11.4743 2.85899 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.6273 11.4743 2.85899 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.727 11.4743 2.85899 0.31955 protocols.relax.FastRelax: CMD: min -81.9053 11.4807 2.8837 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.9053 11.4807 2.8837 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.3215 11.4807 2.8837 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.3424 11.4807 2.8837 0.55 protocols.relax.FastRelax: CMD: min -73.3168 11.5277 2.8569 0.55 protocols.relax.FastRelax: MRP: 4 -73.3168 -73.3168 11.5277 2.8569 protocols.relax.FastRelax: CMD: accept_to_best -73.3168 11.5277 2.8569 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.3168 11.5277 2.8569 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_17.pdb protocols.relax.FastRelax: CMD: repeat 8981.6 14.9552 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8981.6 14.9552 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1774.44 14.9552 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 550 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 37.0053 14.9552 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 45.0872 14.9552 0 0.02805 protocols.relax.FastRelax: CMD: min -37.9597 13.4492 4.99781 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.9597 13.4492 4.99781 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 9.11958 13.4492 4.99781 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.50016 13.4492 4.99781 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 6.56392 13.4492 4.99781 0.154 protocols.relax.FastRelax: CMD: min -56.1077 13.3906 5.63988 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.1077 13.3906 5.63988 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.744 13.3906 5.63988 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.0111 13.3906 5.63988 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.0411 13.3906 5.63988 0.31955 protocols.relax.FastRelax: CMD: min -47.8925 13.4458 5.43214 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.8925 13.4458 5.43214 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0772 13.4458 5.43214 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 485 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.2125 13.4458 5.43214 0.55 protocols.relax.FastRelax: CMD: min -55.947 12.9446 7.36667 0.55 protocols.relax.FastRelax: MRP: 0 -55.947 -55.947 12.9446 7.36667 protocols.relax.FastRelax: CMD: accept_to_best -55.947 12.9446 7.36667 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.947 12.9446 7.36667 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.947 12.9446 7.36667 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8261 12.9446 7.36667 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.8336 12.9446 7.36667 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.8215 12.9446 7.36667 0.02805 protocols.relax.FastRelax: CMD: min -88.9456 13.044 7.39229 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.9456 13.044 7.39229 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.9903 13.044 7.39229 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.279 13.044 7.39229 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7481 13.044 7.39229 0.154 protocols.relax.FastRelax: CMD: min -76.565 13.1691 7.1812 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.565 13.1691 7.1812 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.6617 13.1691 7.1812 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.8026 13.1691 7.1812 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.99 13.1691 7.1812 0.31955 protocols.relax.FastRelax: CMD: min -66.3166 13.1748 7.11617 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.3166 13.1748 7.11617 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.8613 13.1748 7.11617 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.1069 13.1748 7.11617 0.55 protocols.relax.FastRelax: CMD: min -64.67 13.2325 7.35868 0.55 protocols.relax.FastRelax: MRP: 1 -64.67 -64.67 13.2325 7.35868 protocols.relax.FastRelax: CMD: accept_to_best -64.67 13.2325 7.35868 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.67 13.2325 7.35868 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.67 13.2325 7.35868 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.851 13.2325 7.35868 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.8426 13.2325 7.35868 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.706 13.2325 7.35868 0.02805 protocols.relax.FastRelax: CMD: min -97.6544 13.2762 7.27239 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.6544 13.2762 7.27239 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.3038 13.2762 7.27239 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.5777 13.2762 7.27239 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6266 13.2762 7.27239 0.154 protocols.relax.FastRelax: CMD: min -86.2011 13.355 7.10133 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.2011 13.355 7.10133 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0667 13.355 7.10133 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.0878 13.355 7.10133 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1326 13.355 7.10133 0.31955 protocols.relax.FastRelax: CMD: min -76.2208 13.396 7.04208 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.2208 13.396 7.04208 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1646 13.396 7.04208 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.1686 13.396 7.04208 0.55 protocols.relax.FastRelax: CMD: min -70.7501 13.3122 7.15846 0.55 protocols.relax.FastRelax: MRP: 2 -70.7501 -70.7501 13.3122 7.15846 protocols.relax.FastRelax: CMD: accept_to_best -70.7501 13.3122 7.15846 0.55 protocols.relax.FastRelax: CMD: endrepeat -70.7501 13.3122 7.15846 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -70.7501 13.3122 7.15846 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.7121 13.3122 7.15846 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.1152 13.3122 7.15846 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.3225 13.3122 7.15846 0.02805 protocols.relax.FastRelax: CMD: min -104.419 13.3029 7.21058 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.419 13.3029 7.21058 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -77.1836 13.3029 7.21058 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.3268 13.3029 7.21058 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.6525 13.3029 7.21058 0.154 protocols.relax.FastRelax: CMD: min -90.3225 13.2814 7.18904 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.3225 13.2814 7.18904 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2644 13.2814 7.18904 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.4147 13.2814 7.18904 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4776 13.2814 7.18904 0.31955 protocols.relax.FastRelax: CMD: min -81.4441 13.2857 7.18652 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4441 13.2857 7.18652 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7871 13.2857 7.18652 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.875 13.2857 7.18652 0.55 protocols.relax.FastRelax: CMD: min -73.6649 13.2728 7.29402 0.55 protocols.relax.FastRelax: MRP: 3 -73.6649 -73.6649 13.2728 7.29402 protocols.relax.FastRelax: CMD: accept_to_best -73.6649 13.2728 7.29402 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.6649 13.2728 7.29402 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6649 13.2728 7.29402 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.9852 13.2728 7.29402 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.4261 13.2728 7.29402 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.6448 13.2728 7.29402 0.02805 protocols.relax.FastRelax: CMD: min -106.46 13.188 7.4072 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.46 13.188 7.4072 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.3766 13.188 7.4072 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.8597 13.188 7.4072 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0321 13.188 7.4072 0.154 protocols.relax.FastRelax: CMD: min -85.5581 13.3152 7.16967 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.5581 13.3152 7.16967 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4151 13.3152 7.16967 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.7614 13.3152 7.16967 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8812 13.3152 7.16967 0.31955 protocols.relax.FastRelax: CMD: min -77.6591 13.3136 7.20389 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.6591 13.3136 7.20389 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9427 13.3136 7.20389 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.9437 13.3136 7.20389 0.55 protocols.relax.FastRelax: CMD: min -71.706 13.512 7.23497 0.55 protocols.relax.FastRelax: MRP: 4 -71.706 -73.6649 13.2728 7.29402 protocols.relax.FastRelax: CMD: accept_to_best -71.706 13.512 7.23497 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.706 13.512 7.23497 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_25.pdb protocols.relax.FastRelax: CMD: repeat 8970.63 13.4138 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8970.63 13.4138 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1849.29 13.4138 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 16.5631 13.4138 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 18.2468 13.4138 0 0.02805 protocols.relax.FastRelax: CMD: min -20.0932 12.2791 2.95219 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -20.0932 12.2791 2.95219 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 12.131 12.2791 2.95219 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.82926 12.2791 2.95219 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 10.5838 12.2791 2.95219 0.154 protocols.relax.FastRelax: CMD: min -50.1556 12.4586 2.57263 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.1556 12.4586 2.57263 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.6306 12.4586 2.57263 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.0094 12.4586 2.57263 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0589 12.4586 2.57263 0.31955 protocols.relax.FastRelax: CMD: min -39.6662 12.5247 2.51869 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.6662 12.5247 2.51869 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.5865 12.5247 2.51869 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.8143 12.5247 2.51869 0.55 protocols.relax.FastRelax: CMD: min -47.6534 12.8231 2.42294 0.55 protocols.relax.FastRelax: MRP: 0 -47.6534 -47.6534 12.8231 2.42294 protocols.relax.FastRelax: CMD: accept_to_best -47.6534 12.8231 2.42294 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.6534 12.8231 2.42294 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.6534 12.8231 2.42294 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.1754 12.8231 2.42294 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.1688 12.8231 2.42294 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9019 12.8231 2.42294 0.02805 protocols.relax.FastRelax: CMD: min -77.9175 12.6845 2.68546 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9175 12.6845 2.68546 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7015 12.6845 2.68546 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.6293 12.6845 2.68546 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.457 12.6845 2.68546 0.154 protocols.relax.FastRelax: CMD: min -70.2835 12.8188 2.62251 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.2835 12.8188 2.62251 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.1121 12.8188 2.62251 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.1467 12.8188 2.62251 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.287 12.8188 2.62251 0.31955 protocols.relax.FastRelax: CMD: min -59.1377 12.8398 2.58474 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.1377 12.8398 2.58474 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.4653 12.8398 2.58474 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.5054 12.8398 2.58474 0.55 protocols.relax.FastRelax: CMD: min -54.7926 12.6342 2.8435 0.55 protocols.relax.FastRelax: MRP: 1 -54.7926 -54.7926 12.6342 2.8435 protocols.relax.FastRelax: CMD: accept_to_best -54.7926 12.6342 2.8435 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.7926 12.6342 2.8435 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.7926 12.6342 2.8435 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2472 12.6342 2.8435 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.848 12.6342 2.8435 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2032 12.6342 2.8435 0.02805 protocols.relax.FastRelax: CMD: min -93.5392 12.7275 3.16334 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.5392 12.7275 3.16334 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8297 12.7275 3.16334 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.5079 12.7275 3.16334 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.4908 12.7275 3.16334 0.154 protocols.relax.FastRelax: CMD: min -71.3808 12.5716 3.122 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.3808 12.5716 3.122 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2206 12.5716 3.122 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.2304 12.5716 3.122 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2719 12.5716 3.122 0.31955 protocols.relax.FastRelax: CMD: min -59.3869 12.5605 3.09723 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.3869 12.5605 3.09723 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.7151 12.5605 3.09723 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.7353 12.5605 3.09723 0.55 protocols.relax.FastRelax: CMD: min -55.3183 12.1179 3.97936 0.55 protocols.relax.FastRelax: MRP: 2 -55.3183 -55.3183 12.1179 3.97936 protocols.relax.FastRelax: CMD: accept_to_best -55.3183 12.1179 3.97936 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.3183 12.1179 3.97936 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3183 12.1179 3.97936 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5869 12.1179 3.97936 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.5017 12.1179 3.97936 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.6511 12.1179 3.97936 0.02805 protocols.relax.FastRelax: CMD: min -92.4843 12.124 4.11612 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4843 12.124 4.11612 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4133 12.124 4.11612 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.4091 12.124 4.11612 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5918 12.124 4.11612 0.154 protocols.relax.FastRelax: CMD: min -76.6795 12.091 4.09084 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.6795 12.091 4.09084 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5639 12.091 4.09084 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.5954 12.091 4.09084 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6428 12.091 4.09084 0.31955 protocols.relax.FastRelax: CMD: min -64.8189 12.1457 4.0235 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8189 12.1457 4.0235 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7121 12.1457 4.0235 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.7746 12.1457 4.0235 0.55 protocols.relax.FastRelax: CMD: min -57.4182 12.1034 4.16497 0.55 protocols.relax.FastRelax: MRP: 3 -57.4182 -57.4182 12.1034 4.16497 protocols.relax.FastRelax: CMD: accept_to_best -57.4182 12.1034 4.16497 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.4182 12.1034 4.16497 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.4182 12.1034 4.16497 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7818 12.1034 4.16497 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.3478 12.1034 4.16497 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.3995 12.1034 4.16497 0.02805 protocols.relax.FastRelax: CMD: min -96.6978 12.1691 4.27861 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.6978 12.1691 4.27861 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.6297 12.1691 4.27861 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.2102 12.1691 4.27861 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9408 12.1691 4.27861 0.154 protocols.relax.FastRelax: CMD: min -79.24 12.0853 4.19018 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.24 12.0853 4.19018 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.2315 12.0853 4.19018 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.2692 12.0853 4.19018 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2457 12.0853 4.19018 0.31955 protocols.relax.FastRelax: CMD: min -66.9776 12.1644 4.11494 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.9776 12.1644 4.11494 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2157 12.1644 4.11494 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.2188 12.1644 4.11494 0.55 protocols.relax.FastRelax: CMD: min -57.3936 12.105 4.16777 0.55 protocols.relax.FastRelax: MRP: 4 -57.3936 -57.4182 12.1034 4.16497 protocols.relax.FastRelax: CMD: accept_to_best -57.3936 12.105 4.16777 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.3936 12.105 4.16777 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_5.pdb protocols.relax.FastRelax: CMD: repeat 14012.4 14.6697 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14012.4 14.6697 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2052.77 14.6697 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 30.4364 14.6697 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 48.6932 14.6697 0 0.02805 protocols.relax.FastRelax: CMD: min -73.7067 14.323 2.65864 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -73.7067 14.323 2.65864 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4012 14.323 2.65864 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 735 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.1597 14.323 2.65864 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.6067 14.323 2.65864 0.154 protocols.relax.FastRelax: CMD: min -57.8261 14.9713 3.16084 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8261 14.9713 3.16084 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9631 14.9713 3.16084 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 708 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.9647 14.9713 3.16084 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.7136 14.9713 3.16084 0.31955 protocols.relax.FastRelax: CMD: min -44.423 15.2278 3.48188 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -44.423 15.2278 3.48188 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.8301 15.2278 3.48188 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 706 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.8774 15.2278 3.48188 0.55 protocols.relax.FastRelax: CMD: min -52.8524 16.6074 7.30589 0.55 protocols.relax.FastRelax: MRP: 0 -52.8524 -52.8524 16.6074 7.30589 protocols.relax.FastRelax: CMD: accept_to_best -52.8524 16.6074 7.30589 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.8524 16.6074 7.30589 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.8524 16.6074 7.30589 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.7451 16.6074 7.30589 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 604 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.1844 16.6074 7.30589 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.5108 16.6074 7.30589 0.02805 protocols.relax.FastRelax: CMD: min -98.8039 16.2208 7.22702 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.8039 16.2208 7.22702 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1979 16.2208 7.22702 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.475 16.2208 7.22702 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5798 16.2208 7.22702 0.154 protocols.relax.FastRelax: CMD: min -78.9401 16.4715 7.49634 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.9401 16.4715 7.49634 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.5356 16.4715 7.49634 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 630 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5663 16.4715 7.49634 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.515 16.4715 7.49634 0.31955 protocols.relax.FastRelax: CMD: min -66.5413 16.5681 7.5671 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.5413 16.5681 7.5671 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7787 16.5681 7.5671 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.818 16.5681 7.5671 0.55 protocols.relax.FastRelax: CMD: min -58.1121 16.2132 6.93003 0.55 protocols.relax.FastRelax: MRP: 1 -58.1121 -58.1121 16.2132 6.93003 protocols.relax.FastRelax: CMD: accept_to_best -58.1121 16.2132 6.93003 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.1121 16.2132 6.93003 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.1121 16.2132 6.93003 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.686 16.2132 6.93003 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 601 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.0765 16.2132 6.93003 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.6549 16.2132 6.93003 0.02805 protocols.relax.FastRelax: CMD: min -105.983 15.7873 7.04089 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.983 15.7873 7.04089 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.9225 15.7873 7.04089 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.462 15.7873 7.04089 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1216 15.7873 7.04089 0.154 protocols.relax.FastRelax: CMD: min -78.7809 15.9979 7.2326 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.7809 15.9979 7.2326 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3928 15.9979 7.2326 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.059 15.9979 7.2326 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6184 15.9979 7.2326 0.31955 protocols.relax.FastRelax: CMD: min -69.2148 16.0736 7.22215 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.2148 16.0736 7.22215 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0775 16.0736 7.22215 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.1571 16.0736 7.22215 0.55 protocols.relax.FastRelax: CMD: min -58.8773 16.1622 7.06685 0.55 protocols.relax.FastRelax: MRP: 2 -58.8773 -58.8773 16.1622 7.06685 protocols.relax.FastRelax: CMD: accept_to_best -58.8773 16.1622 7.06685 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.8773 16.1622 7.06685 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.8773 16.1622 7.06685 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.077 16.1622 7.06685 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 603 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.9908 16.1622 7.06685 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.084 16.1622 7.06685 0.02805 protocols.relax.FastRelax: CMD: min -103.436 15.7624 6.87051 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.436 15.7624 6.87051 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6134 15.7624 6.87051 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 643 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.2513 15.7624 6.87051 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.246 15.7624 6.87051 0.154 protocols.relax.FastRelax: CMD: min -81.2596 15.8093 6.90398 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2596 15.8093 6.90398 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7751 15.8093 6.90398 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 634 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.1953 15.8093 6.90398 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8938 15.8093 6.90398 0.31955 protocols.relax.FastRelax: CMD: min -70.0798 16.023 7.05779 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.0798 16.023 7.05779 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.8612 16.023 7.05779 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.8673 16.023 7.05779 0.55 protocols.relax.FastRelax: CMD: min -58.9059 16.1488 7.03991 0.55 protocols.relax.FastRelax: MRP: 3 -58.9059 -58.9059 16.1488 7.03991 protocols.relax.FastRelax: CMD: accept_to_best -58.9059 16.1488 7.03991 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.9059 16.1488 7.03991 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.9059 16.1488 7.03991 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.119 16.1488 7.03991 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 603 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.1105 16.1488 7.03991 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.2162 16.1488 7.03991 0.02805 protocols.relax.FastRelax: CMD: min -103.521 15.5915 6.8321 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.521 15.5915 6.8321 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2601 15.5915 6.8321 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.0658 15.5915 6.8321 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.379 15.5915 6.8321 0.154 protocols.relax.FastRelax: CMD: min -80.7752 15.8997 7.15199 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.7752 15.8997 7.15199 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.481 15.8997 7.15199 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 635 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.0948 15.8997 7.15199 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7911 15.8997 7.15199 0.31955 protocols.relax.FastRelax: CMD: min -69.7864 16.0939 7.21457 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.7864 16.0939 7.21457 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.6818 16.0939 7.21457 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.6998 16.0939 7.21457 0.55 protocols.relax.FastRelax: CMD: min -60.7521 16.4517 7.65221 0.55 protocols.relax.FastRelax: MRP: 4 -60.7521 -60.7521 16.4517 7.65221 protocols.relax.FastRelax: CMD: accept_to_best -60.7521 16.4517 7.65221 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.7521 16.4517 7.65221 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_4.pdb protocols.relax.FastRelax: CMD: repeat 12808 14.3292 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12808 14.3292 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1995.49 14.3292 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 552 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 20.2488 14.3292 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 35.8344 14.3292 0 0.02805 protocols.relax.FastRelax: CMD: min -75.9948 14.0143 1.73311 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.9948 14.0143 1.73311 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3284 14.0143 1.73311 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.6734 14.0143 1.73311 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1302 14.0143 1.73311 0.154 protocols.relax.FastRelax: CMD: min -63.9637 14.2689 2.06766 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.9637 14.2689 2.06766 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7456 14.2689 2.06766 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.7859 14.2689 2.06766 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.6426 14.2689 2.06766 0.31955 protocols.relax.FastRelax: CMD: min -50.2997 14.2669 2.06829 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.2997 14.2669 2.06829 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8009 14.2669 2.06829 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.1988 14.2669 2.06829 0.55 protocols.relax.FastRelax: CMD: min -54.0306 14.3655 2.92159 0.55 protocols.relax.FastRelax: MRP: 0 -54.0306 -54.0306 14.3655 2.92159 protocols.relax.FastRelax: CMD: accept_to_best -54.0306 14.3655 2.92159 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.0306 14.3655 2.92159 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.0306 14.3655 2.92159 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.8256 14.3655 2.92159 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.3778 14.3655 2.92159 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.0406 14.3655 2.92159 0.02805 protocols.relax.FastRelax: CMD: min -94.421 13.8738 2.95337 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.421 13.8738 2.95337 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4586 13.8738 2.95337 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.9549 13.8738 2.95337 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3476 13.8738 2.95337 0.154 protocols.relax.FastRelax: CMD: min -77.0255 14.0815 2.94802 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.0255 14.0815 2.94802 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.665 14.0815 2.94802 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6832 14.0815 2.94802 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5506 14.0815 2.94802 0.31955 protocols.relax.FastRelax: CMD: min -65.1022 14.1864 2.98259 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.1022 14.1864 2.98259 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.728 14.1864 2.98259 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7285 14.1864 2.98259 0.55 protocols.relax.FastRelax: CMD: min -55.8929 14.4343 3.14339 0.55 protocols.relax.FastRelax: MRP: 1 -55.8929 -55.8929 14.4343 3.14339 protocols.relax.FastRelax: CMD: accept_to_best -55.8929 14.4343 3.14339 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.8929 14.4343 3.14339 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8929 14.4343 3.14339 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.8963 14.4343 3.14339 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0013 14.4343 3.14339 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.2826 14.4343 3.14339 0.02805 protocols.relax.FastRelax: CMD: min -96.625 14.1098 3.23738 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.625 14.1098 3.23738 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4466 14.1098 3.23738 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 528 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1225 14.1098 3.23738 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.757 14.1098 3.23738 0.154 protocols.relax.FastRelax: CMD: min -78.436 14.2006 3.18387 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.436 14.2006 3.18387 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7542 14.2006 3.18387 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.7606 14.2006 3.18387 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.6032 14.2006 3.18387 0.31955 protocols.relax.FastRelax: CMD: min -66.6283 14.3625 3.19984 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.6283 14.3625 3.19984 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2658 14.3625 3.19984 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.2905 14.3625 3.19984 0.55 protocols.relax.FastRelax: CMD: min -55.9935 14.4144 3.17558 0.55 protocols.relax.FastRelax: MRP: 2 -55.9935 -55.9935 14.4144 3.17558 protocols.relax.FastRelax: CMD: accept_to_best -55.9935 14.4144 3.17558 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.9935 14.4144 3.17558 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9935 14.4144 3.17558 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1682 14.4144 3.17558 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.2091 14.4144 3.17558 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.486 14.4144 3.17558 0.02805 protocols.relax.FastRelax: CMD: min -96.0731 14.154 3.26268 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.0731 14.154 3.26268 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.6973 14.154 3.26268 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8239 14.154 3.26268 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9375 14.154 3.26268 0.154 protocols.relax.FastRelax: CMD: min -79.0036 14.2531 3.20747 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.0036 14.2531 3.20747 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.6293 14.2531 3.20747 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.6309 14.2531 3.20747 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5764 14.2531 3.20747 0.31955 protocols.relax.FastRelax: CMD: min -66.8233 14.2996 3.21971 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.8233 14.2996 3.21971 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6818 14.2996 3.21971 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.7006 14.2996 3.21971 0.55 protocols.relax.FastRelax: CMD: min -57.9344 14.3583 3.01336 0.55 protocols.relax.FastRelax: MRP: 3 -57.9344 -57.9344 14.3583 3.01336 protocols.relax.FastRelax: CMD: accept_to_best -57.9344 14.3583 3.01336 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.9344 14.3583 3.01336 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.9344 14.3583 3.01336 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.8219 14.3583 3.01336 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.8737 14.3583 3.01336 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.4855 14.3583 3.01336 0.02805 protocols.relax.FastRelax: CMD: min -85.5136 14.2631 2.99131 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.5136 14.2631 2.99131 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4355 14.2631 2.99131 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.201 14.2631 2.99131 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4353 14.2631 2.99131 0.154 protocols.relax.FastRelax: CMD: min -78.4839 14.2429 3.03339 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4839 14.2429 3.03339 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9546 14.2429 3.03339 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.0961 14.2429 3.03339 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.1439 14.2429 3.03339 0.31955 protocols.relax.FastRelax: CMD: min -68.0265 14.2994 3.06397 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.0265 14.2994 3.06397 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9829 14.2994 3.06397 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.9829 14.2994 3.06397 0.55 protocols.relax.FastRelax: CMD: min -58.5655 14.3867 3.04774 0.55 protocols.relax.FastRelax: MRP: 4 -58.5655 -58.5655 14.3867 3.04774 protocols.relax.FastRelax: CMD: accept_to_best -58.5655 14.3867 3.04774 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.5655 14.3867 3.04774 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_44.pdb protocols.relax.FastRelax: CMD: repeat 12602.8 12.2884 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12602.8 12.2884 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1934.63 12.2884 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 655 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 87.7588 12.2884 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 108.545 12.2884 0 0.02805 protocols.relax.FastRelax: CMD: min -47.2334 11.7195 4.73087 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.2334 11.7195 4.73087 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 33.7219 11.7195 4.73087 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.3299 11.7195 4.73087 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -8.34071 11.7195 4.73087 0.154 protocols.relax.FastRelax: CMD: min -47.5192 11.804 5.08081 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.5192 11.804 5.08081 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5779 11.804 5.08081 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.3545 11.804 5.08081 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8984 11.804 5.08081 0.31955 protocols.relax.FastRelax: CMD: min -37.9846 11.8648 4.8785 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.9846 11.8648 4.8785 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1654 11.8648 4.8785 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.1697 11.8648 4.8785 0.55 protocols.relax.FastRelax: CMD: min -36.7417 12.2172 5.73689 0.55 protocols.relax.FastRelax: MRP: 0 -36.7417 -36.7417 12.2172 5.73689 protocols.relax.FastRelax: CMD: accept_to_best -36.7417 12.2172 5.73689 0.55 protocols.relax.FastRelax: CMD: endrepeat -36.7417 12.2172 5.73689 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -36.7417 12.2172 5.73689 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -64.201 12.2172 5.73689 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.1704 12.2172 5.73689 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6828 12.2172 5.73689 0.02805 protocols.relax.FastRelax: CMD: min -80.6614 12.0623 5.8649 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.6614 12.0623 5.8649 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.1314 12.0623 5.8649 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.2459 12.0623 5.8649 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.2032 12.0623 5.8649 0.154 protocols.relax.FastRelax: CMD: min -66.2741 12.292 6.65584 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -66.2741 12.292 6.65584 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1228 12.292 6.65584 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.1676 12.292 6.65584 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -43.501 12.292 6.65584 0.31955 protocols.relax.FastRelax: CMD: min -49.1911 12.3488 6.73373 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.1911 12.3488 6.73373 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.7812 12.3488 6.73373 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.5394 12.3488 6.73373 0.55 protocols.relax.FastRelax: CMD: min -43.6277 12.4027 6.63519 0.55 protocols.relax.FastRelax: MRP: 1 -43.6277 -43.6277 12.4027 6.63519 protocols.relax.FastRelax: CMD: accept_to_best -43.6277 12.4027 6.63519 0.55 protocols.relax.FastRelax: CMD: endrepeat -43.6277 12.4027 6.63519 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -43.6277 12.4027 6.63519 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4502 12.4027 6.63519 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.263 12.4027 6.63519 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8964 12.4027 6.63519 0.02805 protocols.relax.FastRelax: CMD: min -79.9551 12.3488 6.6903 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9551 12.3488 6.6903 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0739 12.3488 6.6903 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.8949 12.3488 6.6903 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5464 12.3488 6.6903 0.154 protocols.relax.FastRelax: CMD: min -72.3163 12.3219 6.52311 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.3163 12.3219 6.52311 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.9775 12.3219 6.52311 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.1568 12.3219 6.52311 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.8106 12.3219 6.52311 0.31955 protocols.relax.FastRelax: CMD: min -56.8776 12.3518 6.56145 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.8776 12.3518 6.56145 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.5656 12.3518 6.56145 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.5323 12.3518 6.56145 0.55 protocols.relax.FastRelax: CMD: min -44.8101 12.3714 6.60506 0.55 protocols.relax.FastRelax: MRP: 2 -44.8101 -44.8101 12.3714 6.60506 protocols.relax.FastRelax: CMD: accept_to_best -44.8101 12.3714 6.60506 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.8101 12.3714 6.60506 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.8101 12.3714 6.60506 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.5614 12.3714 6.60506 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.1786 12.3714 6.60506 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8057 12.3714 6.60506 0.02805 protocols.relax.FastRelax: CMD: min -102.454 12.1483 6.75903 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.454 12.1483 6.75903 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1905 12.1483 6.75903 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.9841 12.1483 6.75903 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5854 12.1483 6.75903 0.154 protocols.relax.FastRelax: CMD: min -71.734 12.1808 6.5959 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.734 12.1808 6.5959 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5698 12.1808 6.5959 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7812 12.1808 6.5959 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.0816 12.1808 6.5959 0.31955 protocols.relax.FastRelax: CMD: min -55.3171 12.2495 6.65873 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3171 12.2495 6.65873 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2012 12.2495 6.65873 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.4192 12.2495 6.65873 0.55 protocols.relax.FastRelax: CMD: min -46.7041 12.2175 6.81264 0.55 protocols.relax.FastRelax: MRP: 3 -46.7041 -46.7041 12.2175 6.81264 protocols.relax.FastRelax: CMD: accept_to_best -46.7041 12.2175 6.81264 0.55 protocols.relax.FastRelax: CMD: endrepeat -46.7041 12.2175 6.81264 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -46.7041 12.2175 6.81264 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.3364 12.2175 6.81264 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 627 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.5851 12.2175 6.81264 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.9411 12.2175 6.81264 0.02805 protocols.relax.FastRelax: CMD: min -111.381 12.0659 7.05283 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.381 12.0659 7.05283 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.679 12.0659 7.05283 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9533 12.0659 7.05283 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8297 12.0659 7.05283 0.154 protocols.relax.FastRelax: CMD: min -74.7572 12.1229 6.84615 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7572 12.1229 6.84615 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.2255 12.1229 6.84615 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.2978 12.1229 6.84615 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2855 12.1229 6.84615 0.31955 protocols.relax.FastRelax: CMD: min -57.156 12.1897 6.83228 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.156 12.1897 6.83228 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.566 12.1897 6.83228 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.9826 12.1897 6.83228 0.55 protocols.relax.FastRelax: CMD: min -47.8392 12.2312 6.83564 0.55 protocols.relax.FastRelax: MRP: 4 -47.8392 -47.8392 12.2312 6.83564 protocols.relax.FastRelax: CMD: accept_to_best -47.8392 12.2312 6.83564 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.8392 12.2312 6.83564 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_9.pdb protocols.relax.FastRelax: CMD: repeat 9010.13 13.5842 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9010.13 13.5842 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1767.59 13.5842 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 527 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 27.8574 13.5842 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 34.0638 13.5842 0 0.02805 protocols.relax.FastRelax: CMD: min 58.8068 12.8739 3.96822 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 58.8068 12.8739 3.96822 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 691.62 12.8739 3.96822 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 589.455 12.8739 3.96822 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 627.527 12.8739 3.96822 0.154 protocols.relax.FastRelax: CMD: min -55.9228 12.1397 4.98503 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9228 12.1397 4.98503 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.4044 12.1397 4.98503 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 582 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.5867 12.1397 4.98503 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.238 12.1397 4.98503 0.31955 protocols.relax.FastRelax: CMD: min -43.7704 12.1804 5.03975 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.7704 12.1804 5.03975 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.1949 12.1804 5.03975 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 589 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.312 12.1804 5.03975 0.55 protocols.relax.FastRelax: CMD: min -19.4357 12.1797 5.4666 0.55 protocols.relax.FastRelax: MRP: 0 -19.4357 -19.4357 12.1797 5.4666 protocols.relax.FastRelax: CMD: accept_to_best -19.4357 12.1797 5.4666 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.4357 12.1797 5.4666 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.4357 12.1797 5.4666 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.5018 12.1797 5.4666 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 622 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.7439 12.1797 5.4666 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.104 12.1797 5.4666 0.02805 protocols.relax.FastRelax: CMD: min -103.95 12.0869 5.65448 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.95 12.0869 5.65448 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.7169 12.0869 5.65448 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 631 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.389 12.0869 5.65448 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.41 12.0869 5.65448 0.154 protocols.relax.FastRelax: CMD: min -82.8372 12.1282 5.50927 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8372 12.1282 5.50927 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.9438 12.1282 5.50927 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 618 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.1587 12.1282 5.50927 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9039 12.1282 5.50927 0.31955 protocols.relax.FastRelax: CMD: min -68.74 12.1673 5.48666 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.74 12.1673 5.48666 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7401 12.1673 5.48666 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 621 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.7685 12.1673 5.48666 0.55 protocols.relax.FastRelax: CMD: min -60.5313 11.7224 5.56956 0.55 protocols.relax.FastRelax: MRP: 1 -60.5313 -60.5313 11.7224 5.56956 protocols.relax.FastRelax: CMD: accept_to_best -60.5313 11.7224 5.56956 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.5313 11.7224 5.56956 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5313 11.7224 5.56956 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.2556 11.7224 5.56956 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.5525 11.7224 5.56956 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2008 11.7224 5.56956 0.02805 protocols.relax.FastRelax: CMD: min -102.662 11.6196 5.89677 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.662 11.6196 5.89677 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9046 11.6196 5.89677 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 649 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8391 11.6196 5.89677 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3899 11.6196 5.89677 0.154 protocols.relax.FastRelax: CMD: min -85.483 11.6349 5.73642 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.483 11.6349 5.73642 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.986 11.6349 5.73642 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 647 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.3601 11.6349 5.73642 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1253 11.6349 5.73642 0.31955 protocols.relax.FastRelax: CMD: min -73.2195 11.6525 5.67913 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.2195 11.6525 5.67913 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6453 11.6525 5.67913 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 650 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.6974 11.6525 5.67913 0.55 protocols.relax.FastRelax: CMD: min -64.7196 11.4602 5.91286 0.55 protocols.relax.FastRelax: MRP: 2 -64.7196 -64.7196 11.4602 5.91286 protocols.relax.FastRelax: CMD: accept_to_best -64.7196 11.4602 5.91286 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.7196 11.4602 5.91286 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.7196 11.4602 5.91286 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.0731 11.4602 5.91286 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 632 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.5991 11.4602 5.91286 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2197 11.4602 5.91286 0.02805 protocols.relax.FastRelax: CMD: min -100.987 11.4231 6.14943 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -100.987 11.4231 6.14943 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9826 11.4231 6.14943 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 655 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0062 11.4231 6.14943 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6142 11.4231 6.14943 0.154 protocols.relax.FastRelax: CMD: min -91.3033 11.3976 6.01593 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -91.3033 11.3976 6.01593 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.4483 11.3976 6.01593 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.2064 11.3976 6.01593 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0032 11.3976 6.01593 0.31955 protocols.relax.FastRelax: CMD: min -78.1433 11.4306 5.94785 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.1433 11.4306 5.94785 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5936 11.4306 5.94785 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 649 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.6044 11.4306 5.94785 0.55 protocols.relax.FastRelax: CMD: min -65.7757 11.4484 5.90643 0.55 protocols.relax.FastRelax: MRP: 3 -65.7757 -65.7757 11.4484 5.90643 protocols.relax.FastRelax: CMD: accept_to_best -65.7757 11.4484 5.90643 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.7757 11.4484 5.90643 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.7757 11.4484 5.90643 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2351 11.4484 5.90643 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 644 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.3091 11.4484 5.90643 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9332 11.4484 5.90643 0.02805 protocols.relax.FastRelax: CMD: min -120.193 11.1238 6.37204 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -120.193 11.1238 6.37204 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2125 11.1238 6.37204 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 734 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.5338 11.1238 6.37204 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1935 11.1238 6.37204 0.154 protocols.relax.FastRelax: CMD: min -93.164 11.1464 6.23437 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.164 11.1464 6.23437 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2262 11.1464 6.23437 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 739 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.322 11.1464 6.23437 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7495 11.1464 6.23437 0.31955 protocols.relax.FastRelax: CMD: min -77.7204 11.2112 6.1181 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.7204 11.2112 6.1181 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.1207 11.2112 6.1181 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 710 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.449 11.2112 6.1181 0.55 protocols.relax.FastRelax: CMD: min -71.9208 11.3864 5.896 0.55 protocols.relax.FastRelax: MRP: 4 -71.9208 -71.9208 11.3864 5.896 protocols.relax.FastRelax: CMD: accept_to_best -71.9208 11.3864 5.896 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.9208 11.3864 5.896 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_36.pdb protocols.relax.FastRelax: CMD: repeat 8866.59 11.6455 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8866.59 11.6455 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1771.51 11.6455 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 61.9157 11.6455 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 77.5472 11.6455 0 0.02805 protocols.relax.FastRelax: CMD: min -41.2404 11.612 2.18953 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.2404 11.612 2.18953 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 17.296 11.612 2.18953 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 10.6124 11.612 2.18953 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 14.4655 11.612 2.18953 0.154 protocols.relax.FastRelax: CMD: min -28.9543 11.9444 2.68874 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.9543 11.9444 2.68874 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0462 11.9444 2.68874 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.829 11.9444 2.68874 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6156 11.9444 2.68874 0.31955 protocols.relax.FastRelax: CMD: min -15.8583 11.9643 2.66716 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -15.8583 11.9643 2.66716 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 0.357794 11.9643 2.66716 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.331889 11.9643 2.66716 0.55 protocols.relax.FastRelax: CMD: min -25.4413 11.8805 3.21764 0.55 protocols.relax.FastRelax: MRP: 0 -25.4413 -25.4413 11.8805 3.21764 protocols.relax.FastRelax: CMD: accept_to_best -25.4413 11.8805 3.21764 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.4413 11.8805 3.21764 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -25.4413 11.8805 3.21764 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.425 11.8805 3.21764 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.3987 11.8805 3.21764 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.983 11.8805 3.21764 0.02805 protocols.relax.FastRelax: CMD: min -76.3778 11.5886 4.08632 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.3778 11.5886 4.08632 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -10.2739 11.5886 4.08632 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8898 11.5886 4.08632 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1357 11.5886 4.08632 0.154 protocols.relax.FastRelax: CMD: min -64.3699 12.053 4.82018 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.3699 12.053 4.82018 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2973 12.053 4.82018 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 641 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.1902 12.053 4.82018 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.8225 12.053 4.82018 0.31955 protocols.relax.FastRelax: CMD: min -50.0824 12.1163 4.81873 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.0824 12.1163 4.81873 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.2053 12.1163 4.81873 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 634 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.217 12.1163 4.81873 0.55 protocols.relax.FastRelax: CMD: min -44.3869 12.2954 4.85931 0.55 protocols.relax.FastRelax: MRP: 1 -44.3869 -44.3869 12.2954 4.85931 protocols.relax.FastRelax: CMD: accept_to_best -44.3869 12.2954 4.85931 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.3869 12.2954 4.85931 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.3869 12.2954 4.85931 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.5197 12.2954 4.85931 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 716 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.7724 12.2954 4.85931 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1221 12.2954 4.85931 0.02805 protocols.relax.FastRelax: CMD: min -96.8431 12.4172 5.09064 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.8431 12.4172 5.09064 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1882 12.4172 5.09064 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 732 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.5251 12.4172 5.09064 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3331 12.4172 5.09064 0.154 protocols.relax.FastRelax: CMD: min -71.2058 12.3354 4.96425 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.2058 12.3354 4.96425 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.2868 12.3354 4.96425 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 647 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.5925 12.3354 4.96425 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.1898 12.3354 4.96425 0.31955 protocols.relax.FastRelax: CMD: min -57.1283 12.3315 4.91409 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.1283 12.3315 4.91409 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.2451 12.3315 4.91409 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 626 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.3795 12.3315 4.91409 0.55 protocols.relax.FastRelax: CMD: min -55.4218 12.2341 4.90245 0.55 protocols.relax.FastRelax: MRP: 2 -55.4218 -55.4218 12.2341 4.90245 protocols.relax.FastRelax: CMD: accept_to_best -55.4218 12.2341 4.90245 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.4218 12.2341 4.90245 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.4218 12.2341 4.90245 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.3918 12.2341 4.90245 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 696 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.3059 12.2341 4.90245 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.5051 12.2341 4.90245 0.02805 protocols.relax.FastRelax: CMD: min -109.597 12.3905 5.28508 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.597 12.3905 5.28508 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.5178 12.3905 5.28508 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 702 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.0399 12.3905 5.28508 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.0723 12.3905 5.28508 0.154 protocols.relax.FastRelax: CMD: min -82.101 12.5127 5.22112 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.101 12.5127 5.22112 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.9044 12.5127 5.22112 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 706 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.3705 12.5127 5.22112 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7067 12.5127 5.22112 0.31955 protocols.relax.FastRelax: CMD: min -66.1616 12.5178 5.16933 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.1616 12.5178 5.16933 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3431 12.5178 5.16933 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 621 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.4289 12.5178 5.16933 0.55 protocols.relax.FastRelax: CMD: min -62.128 12.583 5.10316 0.55 protocols.relax.FastRelax: MRP: 3 -62.128 -62.128 12.583 5.10316 protocols.relax.FastRelax: CMD: accept_to_best -62.128 12.583 5.10316 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.128 12.583 5.10316 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.128 12.583 5.10316 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.0376 12.583 5.10316 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 730 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.0372 12.583 5.10316 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2564 12.583 5.10316 0.02805 protocols.relax.FastRelax: CMD: min -111.805 12.5766 5.31382 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.805 12.5766 5.31382 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.1655 12.5766 5.31382 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 751 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5823 12.5766 5.31382 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5485 12.5766 5.31382 0.154 protocols.relax.FastRelax: CMD: min -88.6484 12.5402 5.18967 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.6484 12.5402 5.18967 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.8377 12.5402 5.18967 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 727 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.4264 12.5402 5.18967 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0171 12.5402 5.18967 0.31955 protocols.relax.FastRelax: CMD: min -74.4247 12.535 5.10304 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.4247 12.535 5.10304 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.6726 12.535 5.10304 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 681 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.6731 12.535 5.10304 0.55 protocols.relax.FastRelax: CMD: min -64.4139 12.5543 5.09881 0.55 protocols.relax.FastRelax: MRP: 4 -64.4139 -64.4139 12.5543 5.09881 protocols.relax.FastRelax: CMD: accept_to_best -64.4139 12.5543 5.09881 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.4139 12.5543 5.09881 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_3.pdb protocols.relax.FastRelax: CMD: repeat 10236 11.9425 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10236 11.9425 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2149.22 11.9425 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 58.9472 11.9425 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 65.7031 11.9425 0 0.02805 protocols.relax.FastRelax: CMD: min -24.8247 12.1637 4.95619 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -24.8247 12.1637 4.95619 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 163.127 12.1637 4.95619 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 682 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 24.3584 12.1637 4.95619 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 29.1538 12.1637 4.95619 0.154 protocols.relax.FastRelax: CMD: min -47.324 12.4315 5.52632 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.324 12.4315 5.52632 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.9297 12.4315 5.52632 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 667 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.1597 12.4315 5.52632 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.7298 12.4315 5.52632 0.31955 protocols.relax.FastRelax: CMD: min -34.9061 12.3134 5.40687 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.9061 12.3134 5.40687 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -17.0365 12.3134 5.40687 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 659 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.0496 12.3134 5.40687 0.55 protocols.relax.FastRelax: CMD: min -36.1734 12.5671 5.86554 0.55 protocols.relax.FastRelax: MRP: 0 -36.1734 -36.1734 12.5671 5.86554 protocols.relax.FastRelax: CMD: accept_to_best -36.1734 12.5671 5.86554 0.55 protocols.relax.FastRelax: CMD: endrepeat -36.1734 12.5671 5.86554 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -36.1734 12.5671 5.86554 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6392 12.5671 5.86554 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 695 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.3387 12.5671 5.86554 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8108 12.5671 5.86554 0.02805 protocols.relax.FastRelax: CMD: min -97.5061 12.6356 6.87257 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.5061 12.6356 6.87257 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.2186 12.6356 6.87257 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 684 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.8918 12.6356 6.87257 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3217 12.6356 6.87257 0.154 protocols.relax.FastRelax: CMD: min -69.4666 12.8744 6.83043 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4666 12.8744 6.83043 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.7641 12.8744 6.83043 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 658 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.9565 12.8744 6.83043 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2871 12.8744 6.83043 0.31955 protocols.relax.FastRelax: CMD: min -55.8961 12.7986 6.58804 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8961 12.7986 6.58804 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5704 12.7986 6.58804 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 652 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.6797 12.7986 6.58804 0.55 protocols.relax.FastRelax: CMD: min -51.0151 12.8027 6.81594 0.55 protocols.relax.FastRelax: MRP: 1 -51.0151 -51.0151 12.8027 6.81594 protocols.relax.FastRelax: CMD: accept_to_best -51.0151 12.8027 6.81594 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.0151 12.8027 6.81594 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.0151 12.8027 6.81594 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9839 12.8027 6.81594 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 587 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.0037 12.8027 6.81594 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.5259 12.8027 6.81594 0.02805 protocols.relax.FastRelax: CMD: min -104.716 12.813 7.10949 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.716 12.813 7.10949 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7478 12.813 7.10949 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 659 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.3759 12.813 7.10949 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9713 12.813 7.10949 0.154 protocols.relax.FastRelax: CMD: min -77.1812 12.7348 6.85817 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.1812 12.7348 6.85817 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7794 12.7348 6.85817 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.2075 12.7348 6.85817 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.6099 12.7348 6.85817 0.31955 protocols.relax.FastRelax: CMD: min -64.1545 12.7433 6.82958 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.1545 12.7433 6.82958 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2156 12.7433 6.82958 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 650 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.2592 12.7433 6.82958 0.55 protocols.relax.FastRelax: CMD: min -57.9744 12.6555 6.99571 0.55 protocols.relax.FastRelax: MRP: 2 -57.9744 -57.9744 12.6555 6.99571 protocols.relax.FastRelax: CMD: accept_to_best -57.9744 12.6555 6.99571 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.9744 12.6555 6.99571 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.9744 12.6555 6.99571 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4463 12.6555 6.99571 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.2181 12.6555 6.99571 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.7396 12.6555 6.99571 0.02805 protocols.relax.FastRelax: CMD: min -119.831 12.7323 7.57057 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.831 12.7323 7.57057 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.3347 12.7323 7.57057 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 781 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.938 12.7323 7.57057 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4146 12.7323 7.57057 0.154 protocols.relax.FastRelax: CMD: min -89.9893 12.6788 7.28788 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.9893 12.6788 7.28788 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.44 12.6788 7.28788 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 650 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.1671 12.6788 7.28788 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.4445 12.6788 7.28788 0.31955 protocols.relax.FastRelax: CMD: min -73.9232 12.6858 7.18165 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.9232 12.6858 7.18165 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5464 12.6858 7.18165 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 577 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.5538 12.6858 7.18165 0.55 protocols.relax.FastRelax: CMD: min -64.2391 12.6923 7.38994 0.55 protocols.relax.FastRelax: MRP: 3 -64.2391 -64.2391 12.6923 7.38994 protocols.relax.FastRelax: CMD: accept_to_best -64.2391 12.6923 7.38994 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.2391 12.6923 7.38994 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.2391 12.6923 7.38994 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2174 12.6923 7.38994 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.987 12.6923 7.38994 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.6043 12.6923 7.38994 0.02805 protocols.relax.FastRelax: CMD: min -116.191 12.7249 7.67949 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.191 12.7249 7.67949 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6835 12.7249 7.67949 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 650 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8223 12.7249 7.67949 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.1464 12.7249 7.67949 0.154 protocols.relax.FastRelax: CMD: min -89.919 12.6168 7.44624 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.919 12.6168 7.44624 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.1009 12.6168 7.44624 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 643 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.5664 12.6168 7.44624 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0486 12.6168 7.44624 0.31955 protocols.relax.FastRelax: CMD: min -76.9395 12.6539 7.4105 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.9395 12.6539 7.4105 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3393 12.6539 7.4105 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.5075 12.6539 7.4105 0.55 protocols.relax.FastRelax: CMD: min -64.4032 12.6805 7.37786 0.55 protocols.relax.FastRelax: MRP: 4 -64.4032 -64.4032 12.6805 7.37786 protocols.relax.FastRelax: CMD: accept_to_best -64.4032 12.6805 7.37786 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.4032 12.6805 7.37786 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_46.pdb protocols.relax.FastRelax: CMD: repeat 11131.1 11.4965 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11131.1 11.4965 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1919.03 11.4965 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 100.054 11.4965 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 134.026 11.4965 0 0.02805 protocols.relax.FastRelax: CMD: min -53.9126 11.5398 1.85939 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.9126 11.5398 1.85939 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 8.818 11.5398 1.85939 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.0420926 11.5398 1.85939 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 3.86102 11.5398 1.85939 0.154 protocols.relax.FastRelax: CMD: min -38.4281 11.5773 1.96119 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.4281 11.5773 1.96119 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4607 11.5773 1.96119 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.5155 11.5773 1.96119 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.0221 11.5773 1.96119 0.31955 protocols.relax.FastRelax: CMD: min -22.5036 11.5761 1.94091 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.5036 11.5761 1.94091 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -2.5128 11.5761 1.94091 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.54721 11.5761 1.94091 0.55 protocols.relax.FastRelax: CMD: min -35.2044 11.7986 2.80241 0.55 protocols.relax.FastRelax: MRP: 0 -35.2044 -35.2044 11.7986 2.80241 protocols.relax.FastRelax: CMD: accept_to_best -35.2044 11.7986 2.80241 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.2044 11.7986 2.80241 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.2044 11.7986 2.80241 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -60.205 11.7986 2.80241 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.339 11.7986 2.80241 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3795 11.7986 2.80241 0.02805 protocols.relax.FastRelax: CMD: min -83.6512 11.6939 3.03135 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.6512 11.6939 3.03135 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0178 11.6939 3.03135 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.5972 11.6939 3.03135 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.092 11.6939 3.03135 0.154 protocols.relax.FastRelax: CMD: min -63.3512 11.7499 2.89563 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3512 11.7499 2.89563 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2026 11.7499 2.89563 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.2135 11.7499 2.89563 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.9423 11.7499 2.89563 0.31955 protocols.relax.FastRelax: CMD: min -48.8403 11.7739 2.9174 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.8403 11.7739 2.9174 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.0345 11.7739 2.9174 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.0589 11.7739 2.9174 0.55 protocols.relax.FastRelax: CMD: min -40.6283 11.7394 3.06257 0.55 protocols.relax.FastRelax: MRP: 1 -40.6283 -40.6283 11.7394 3.06257 protocols.relax.FastRelax: CMD: accept_to_best -40.6283 11.7394 3.06257 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.6283 11.7394 3.06257 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.6283 11.7394 3.06257 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8993 11.7394 3.06257 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.2099 11.7394 3.06257 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7276 11.7394 3.06257 0.02805 protocols.relax.FastRelax: CMD: min -84.9664 11.6818 3.34046 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.9664 11.6818 3.34046 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.3012 11.6818 3.34046 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.7628 11.6818 3.34046 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7602 11.6818 3.34046 0.154 protocols.relax.FastRelax: CMD: min -65.6075 11.6871 3.09218 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.6075 11.6871 3.09218 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1231 11.6871 3.09218 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.1236 11.6871 3.09218 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.824 11.6871 3.09218 0.31955 protocols.relax.FastRelax: CMD: min -51.3597 11.7134 3.083 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.3597 11.7134 3.083 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4638 11.7134 3.083 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.5407 11.7134 3.083 0.55 protocols.relax.FastRelax: CMD: min -40.6487 11.7339 3.06174 0.55 protocols.relax.FastRelax: MRP: 2 -40.6487 -40.6487 11.7339 3.06174 protocols.relax.FastRelax: CMD: accept_to_best -40.6487 11.7339 3.06174 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.6487 11.7339 3.06174 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.6487 11.7339 3.06174 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9007 11.7339 3.06174 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.1664 11.7339 3.06174 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6776 11.7339 3.06174 0.02805 protocols.relax.FastRelax: CMD: min -87.2217 11.6813 3.32303 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.2217 11.6813 3.32303 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1625 11.6813 3.32303 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.8747 11.6813 3.32303 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8293 11.6813 3.32303 0.154 protocols.relax.FastRelax: CMD: min -65.177 11.721 3.14103 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.177 11.721 3.14103 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1488 11.721 3.14103 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.1982 11.721 3.14103 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8454 11.721 3.14103 0.31955 protocols.relax.FastRelax: CMD: min -50.1313 11.7174 3.10067 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.1313 11.7174 3.10067 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.9148 11.7174 3.10067 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.9809 11.7174 3.10067 0.55 protocols.relax.FastRelax: CMD: min -41.2238 11.5858 2.75695 0.55 protocols.relax.FastRelax: MRP: 3 -41.2238 -41.2238 11.5858 2.75695 protocols.relax.FastRelax: CMD: accept_to_best -41.2238 11.5858 2.75695 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.2238 11.5858 2.75695 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -41.2238 11.5858 2.75695 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.1297 11.5858 2.75695 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.7721 11.5858 2.75695 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -68.4098 11.5858 2.75695 0.02805 protocols.relax.FastRelax: CMD: min -90.987 11.5727 3.22185 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.987 11.5727 3.22185 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.5948 11.5727 3.22185 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.0162 11.5727 3.22185 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.2652 11.5727 3.22185 0.154 protocols.relax.FastRelax: CMD: min -67.877 11.6103 2.96331 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.877 11.6103 2.96331 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6031 11.6103 2.96331 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.6031 11.6103 2.96331 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1622 11.6103 2.96331 0.31955 protocols.relax.FastRelax: CMD: min -53.3203 11.618 2.8906 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.3203 11.618 2.8906 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9372 11.618 2.8906 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.9642 11.618 2.8906 0.55 protocols.relax.FastRelax: CMD: min -41.1832 11.5844 2.76972 0.55 protocols.relax.FastRelax: MRP: 4 -41.1832 -41.2238 11.5858 2.75695 protocols.relax.FastRelax: CMD: accept_to_best -41.1832 11.5844 2.76972 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.1832 11.5844 2.76972 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_13.pdb protocols.relax.FastRelax: CMD: repeat 12900.1 13.3462 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12900.1 13.3462 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1984.23 13.3462 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 9.9432 13.3462 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 13.5867 13.3462 0 0.02805 protocols.relax.FastRelax: CMD: min -41.8319 12.191 2.92463 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.8319 12.191 2.92463 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 47.6657 12.191 2.92463 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.8747 12.191 2.92463 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.1398 12.191 2.92463 0.154 protocols.relax.FastRelax: CMD: min -64.8388 12.0044 3.6223 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8388 12.0044 3.6223 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.3882 12.0044 3.6223 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.5387 12.0044 3.6223 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4103 12.0044 3.6223 0.31955 protocols.relax.FastRelax: CMD: min -50.3165 12.0069 3.5952 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.3165 12.0069 3.5952 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2737 12.0069 3.5952 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.4103 12.0069 3.5952 0.55 protocols.relax.FastRelax: CMD: min -59.068 12.1996 3.9524 0.55 protocols.relax.FastRelax: MRP: 0 -59.068 -59.068 12.1996 3.9524 protocols.relax.FastRelax: CMD: accept_to_best -59.068 12.1996 3.9524 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.068 12.1996 3.9524 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.068 12.1996 3.9524 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.3247 12.1996 3.9524 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.8992 12.1996 3.9524 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.2448 12.1996 3.9524 0.02805 protocols.relax.FastRelax: CMD: min -102.988 12.2314 4.40744 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.988 12.2314 4.40744 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.6441 12.2314 4.40744 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8463 12.2314 4.40744 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2042 12.2314 4.40744 0.154 protocols.relax.FastRelax: CMD: min -83.5753 12.2605 4.25198 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.5753 12.2605 4.25198 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.612 12.2605 4.25198 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.9964 12.2605 4.25198 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.9248 12.2605 4.25198 0.31955 protocols.relax.FastRelax: CMD: min -72.5162 12.2471 4.23745 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.5162 12.2471 4.23745 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6592 12.2471 4.23745 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.6696 12.2471 4.23745 0.55 protocols.relax.FastRelax: CMD: min -65.783 12.3663 3.98502 0.55 protocols.relax.FastRelax: MRP: 1 -65.783 -65.783 12.3663 3.98502 protocols.relax.FastRelax: CMD: accept_to_best -65.783 12.3663 3.98502 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.783 12.3663 3.98502 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.783 12.3663 3.98502 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.8662 12.3663 3.98502 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.6746 12.3663 3.98502 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.8008 12.3663 3.98502 0.02805 protocols.relax.FastRelax: CMD: min -110.967 12.4057 4.2661 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.967 12.4057 4.2661 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.0173 12.4057 4.2661 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.7352 12.4057 4.2661 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3234 12.4057 4.2661 0.154 protocols.relax.FastRelax: CMD: min -90.5068 12.4361 4.09956 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.5068 12.4361 4.09956 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1739 12.4361 4.09956 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 544 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.1818 12.4361 4.09956 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.9732 12.4361 4.09956 0.31955 protocols.relax.FastRelax: CMD: min -75.7007 12.4271 4.05965 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7007 12.4271 4.05965 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.293 12.4271 4.05965 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.6976 12.4271 4.05965 0.55 protocols.relax.FastRelax: CMD: min -71.3009 12.6511 3.97259 0.55 protocols.relax.FastRelax: MRP: 2 -71.3009 -71.3009 12.6511 3.97259 protocols.relax.FastRelax: CMD: accept_to_best -71.3009 12.6511 3.97259 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.3009 12.6511 3.97259 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.3009 12.6511 3.97259 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.5515 12.6511 3.97259 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.167 12.6511 3.97259 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.1267 12.6511 3.97259 0.02805 protocols.relax.FastRelax: CMD: min -129.039 12.791 4.33446 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.039 12.791 4.33446 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.3306 12.791 4.33446 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 668 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.3909 12.791 4.33446 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7898 12.791 4.33446 0.154 protocols.relax.FastRelax: CMD: min -96.4249 12.7477 4.20046 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.4249 12.7477 4.20046 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.8734 12.7477 4.20046 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 563 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.3175 12.7477 4.20046 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8025 12.7477 4.20046 0.31955 protocols.relax.FastRelax: CMD: min -78.8916 12.7369 4.16586 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.8916 12.7369 4.16586 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6017 12.7369 4.16586 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 560 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.7553 12.7369 4.16586 0.55 protocols.relax.FastRelax: CMD: min -79.7388 12.3621 4.60365 0.55 protocols.relax.FastRelax: MRP: 3 -79.7388 -79.7388 12.3621 4.60365 protocols.relax.FastRelax: CMD: accept_to_best -79.7388 12.3621 4.60365 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.7388 12.3621 4.60365 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.7388 12.3621 4.60365 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.762 12.3621 4.60365 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 675 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.535 12.3621 4.60365 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -108.504 12.3621 4.60365 0.02805 protocols.relax.FastRelax: CMD: min -127.949 12.4616 4.78755 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.949 12.4616 4.78755 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2193 12.4616 4.78755 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 725 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.7307 12.4616 4.78755 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.8652 12.4616 4.78755 0.154 protocols.relax.FastRelax: CMD: min -107.33 12.4307 4.77512 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -107.33 12.4307 4.77512 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -89.6581 12.4307 4.77512 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 638 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.7003 12.4307 4.77512 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3092 12.4307 4.77512 0.31955 protocols.relax.FastRelax: CMD: min -91.5275 12.4156 4.73889 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.5275 12.4156 4.73889 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4742 12.4156 4.73889 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6117 12.4156 4.73889 0.55 protocols.relax.FastRelax: CMD: min -81.0163 12.4348 4.75102 0.55 protocols.relax.FastRelax: MRP: 4 -81.0163 -81.0163 12.4348 4.75102 protocols.relax.FastRelax: CMD: accept_to_best -81.0163 12.4348 4.75102 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.0163 12.4348 4.75102 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_16.pdb protocols.relax.FastRelax: CMD: repeat 10175.4 14.7867 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10175.4 14.7867 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1910.43 14.7867 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 28.6024 14.7867 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 40.3395 14.7867 0 0.02805 protocols.relax.FastRelax: CMD: min -61.017 14.1624 4.7984 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -61.017 14.1624 4.7984 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -6.47181 14.1624 4.7984 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 528 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.9239 14.1624 4.7984 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -8.46427 14.1624 4.7984 0.154 protocols.relax.FastRelax: CMD: min -49.0756 14.33 5.24868 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.0756 14.33 5.24868 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.1479 14.33 5.24868 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.3549 14.33 5.24868 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2856 14.33 5.24868 0.31955 protocols.relax.FastRelax: CMD: min -35.1752 14.3595 5.26735 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.1752 14.3595 5.26735 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.3952 14.3595 5.26735 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.5278 14.3595 5.26735 0.55 protocols.relax.FastRelax: CMD: min -42.5838 14.1884 6.02698 0.55 protocols.relax.FastRelax: MRP: 0 -42.5838 -42.5838 14.1884 6.02698 protocols.relax.FastRelax: CMD: accept_to_best -42.5838 14.1884 6.02698 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.5838 14.1884 6.02698 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.5838 14.1884 6.02698 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7432 14.1884 6.02698 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.9271 14.1884 6.02698 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -67.6215 14.1884 6.02698 0.02805 protocols.relax.FastRelax: CMD: min -87.371 14.1741 6.05679 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.371 14.1741 6.05679 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.5028 14.1741 6.05679 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.7358 14.1741 6.05679 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9808 14.1741 6.05679 0.154 protocols.relax.FastRelax: CMD: min -68.8038 14.2443 5.95918 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.8038 14.2443 5.95918 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3959 14.2443 5.95918 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.9135 14.2443 5.95918 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.7948 14.2443 5.95918 0.31955 protocols.relax.FastRelax: CMD: min -55.7273 14.3316 5.98434 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.7273 14.3316 5.98434 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.6835 14.3316 5.98434 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.7625 14.3316 5.98434 0.55 protocols.relax.FastRelax: CMD: min -48.6375 14.2411 5.81754 0.55 protocols.relax.FastRelax: MRP: 1 -48.6375 -48.6375 14.2411 5.81754 protocols.relax.FastRelax: CMD: accept_to_best -48.6375 14.2411 5.81754 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.6375 14.2411 5.81754 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.6375 14.2411 5.81754 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.6406 14.2411 5.81754 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.4635 14.2411 5.81754 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1698 14.2411 5.81754 0.02805 protocols.relax.FastRelax: CMD: min -87.8542 14.2333 5.9676 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.8542 14.2333 5.9676 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.8204 14.2333 5.9676 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.6178 14.2333 5.9676 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.6302 14.2333 5.9676 0.154 protocols.relax.FastRelax: CMD: min -70.2202 14.2895 5.88627 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.2202 14.2895 5.88627 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5831 14.2895 5.88627 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.6673 14.2895 5.88627 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.517 14.2895 5.88627 0.31955 protocols.relax.FastRelax: CMD: min -58.2841 14.1646 5.79235 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.2841 14.1646 5.79235 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1834 14.1646 5.79235 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1838 14.1646 5.79235 0.55 protocols.relax.FastRelax: CMD: min -48.6164 14.2435 5.81833 0.55 protocols.relax.FastRelax: MRP: 2 -48.6164 -48.6375 14.2411 5.81754 protocols.relax.FastRelax: CMD: accept_to_best -48.6164 14.2435 5.81833 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.6164 14.2435 5.81833 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.6164 14.2435 5.81833 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.5903 14.2435 5.81833 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.4095 14.2435 5.81833 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1162 14.2435 5.81833 0.02805 protocols.relax.FastRelax: CMD: min -86.9903 14.2416 5.93629 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -86.9903 14.2416 5.93629 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1845 14.2416 5.93629 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.2075 14.2416 5.93629 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.3849 14.2416 5.93629 0.154 protocols.relax.FastRelax: CMD: min -70.4658 14.2296 5.92332 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4658 14.2296 5.92332 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.3765 14.2296 5.92332 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.4186 14.2296 5.92332 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3121 14.2296 5.92332 0.31955 protocols.relax.FastRelax: CMD: min -58.6071 14.217 5.81387 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.6071 14.217 5.81387 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1448 14.217 5.81387 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.146 14.217 5.81387 0.55 protocols.relax.FastRelax: CMD: min -48.786 14.205 5.80049 0.55 protocols.relax.FastRelax: MRP: 3 -48.786 -48.786 14.205 5.80049 protocols.relax.FastRelax: CMD: accept_to_best -48.786 14.205 5.80049 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.786 14.205 5.80049 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.786 14.205 5.80049 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7887 14.205 5.80049 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.6126 14.205 5.80049 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3189 14.205 5.80049 0.02805 protocols.relax.FastRelax: CMD: min -89.323 14.1309 6.04391 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.323 14.1309 6.04391 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3763 14.1309 6.04391 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.0061 14.1309 6.04391 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.5046 14.1309 6.04391 0.154 protocols.relax.FastRelax: CMD: min -67.4861 14.0493 5.72515 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.4861 14.0493 5.72515 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0085 14.0493 5.72515 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.091 14.0493 5.72515 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.8631 14.0493 5.72515 0.31955 protocols.relax.FastRelax: CMD: min -54.8825 14.1751 5.72593 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.8825 14.1751 5.72593 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.6098 14.1751 5.72593 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.6696 14.1751 5.72593 0.55 protocols.relax.FastRelax: CMD: min -49.1632 13.8797 5.46149 0.55 protocols.relax.FastRelax: MRP: 4 -49.1632 -49.1632 13.8797 5.46149 protocols.relax.FastRelax: CMD: accept_to_best -49.1632 13.8797 5.46149 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.1632 13.8797 5.46149 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein2/decoy_40.pdb protocols.relax.FastRelax: CMD: repeat 7934.33 14.9571 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 7934.33 14.9571 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1861.22 14.9571 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 673 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 45.2896 14.9571 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 54.9711 14.9571 0 0.02805 protocols.relax.FastRelax: CMD: min -42.2405 14.1622 4.56231 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.2405 14.1622 4.56231 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 2.55554 14.1622 4.56231 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -1.90135 14.1622 4.56231 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 0.939729 14.1622 4.56231 0.154 protocols.relax.FastRelax: CMD: min -30.1905 14.1728 4.87385 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.1905 14.1728 4.87385 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -11.8907 14.1728 4.87385 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.6843 14.1728 4.87385 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -12.1883 14.1728 4.87385 0.31955 protocols.relax.FastRelax: CMD: min -29.1725 14.3706 5.599 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -29.1725 14.3706 5.599 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4821 14.3706 5.599 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.6951 14.3706 5.599 0.55 protocols.relax.FastRelax: CMD: min -39.2881 14.3817 6.18597 0.55 protocols.relax.FastRelax: MRP: 0 -39.2881 -39.2881 14.3817 6.18597 protocols.relax.FastRelax: CMD: accept_to_best -39.2881 14.3817 6.18597 0.55 protocols.relax.FastRelax: CMD: endrepeat -39.2881 14.3817 6.18597 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -39.2881 14.3817 6.18597 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4462 14.3817 6.18597 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 621 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8409 14.3817 6.18597 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.3581 14.3817 6.18597 0.02805 protocols.relax.FastRelax: CMD: min -75.0559 14.3646 6.28178 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0559 14.3646 6.28178 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9064 14.3646 6.28178 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 589 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.8759 14.3646 6.28178 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5826 14.3646 6.28178 0.154 protocols.relax.FastRelax: CMD: min -62.4227 14.3387 6.2882 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.4227 14.3387 6.2882 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4555 14.3387 6.2882 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 569 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.9376 14.3387 6.2882 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8855 14.3387 6.2882 0.31955 protocols.relax.FastRelax: CMD: min -49.2809 14.3517 6.262 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.2809 14.3517 6.262 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.678 14.3517 6.262 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.0367 14.3517 6.262 0.55 protocols.relax.FastRelax: CMD: min -44.1065 14.2913 6.46035 0.55 protocols.relax.FastRelax: MRP: 1 -44.1065 -44.1065 14.2913 6.46035 protocols.relax.FastRelax: CMD: accept_to_best -44.1065 14.2913 6.46035 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.1065 14.2913 6.46035 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.1065 14.2913 6.46035 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2287 14.2913 6.46035 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7291 14.2913 6.46035 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1257 14.2913 6.46035 0.02805 protocols.relax.FastRelax: CMD: min -91.6096 14.2469 6.76395 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.6096 14.2469 6.76395 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.356 14.2469 6.76395 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.3131 14.2469 6.76395 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9333 14.2469 6.76395 0.154 protocols.relax.FastRelax: CMD: min -71.7929 14.2866 6.63628 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.7929 14.2866 6.63628 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.9735 14.2866 6.63628 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.0522 14.2866 6.63628 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5542 14.2866 6.63628 0.31955 protocols.relax.FastRelax: CMD: min -56.7375 14.3013 6.57392 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.7375 14.3013 6.57392 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7567 14.3013 6.57392 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.9461 14.3013 6.57392 0.55 protocols.relax.FastRelax: CMD: min -51.6595 14.3378 6.73863 0.55 protocols.relax.FastRelax: MRP: 2 -51.6595 -51.6595 14.3378 6.73863 protocols.relax.FastRelax: CMD: accept_to_best -51.6595 14.3378 6.73863 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.6595 14.3378 6.73863 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.6595 14.3378 6.73863 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7229 14.3378 6.73863 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 659 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.9677 14.3378 6.73863 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.3965 14.3378 6.73863 0.02805 protocols.relax.FastRelax: CMD: min -101.1 14.2801 6.96865 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.1 14.2801 6.96865 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.468 14.2801 6.96865 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 598 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.178 14.2801 6.96865 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4817 14.2801 6.96865 0.154 protocols.relax.FastRelax: CMD: min -78.4154 14.3113 6.81217 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4154 14.3113 6.81217 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6219 14.3113 6.81217 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.6593 14.3113 6.81217 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1807 14.3113 6.81217 0.31955 protocols.relax.FastRelax: CMD: min -63.1813 14.3345 6.77688 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.1813 14.3345 6.77688 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8844 14.3345 6.77688 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.0579 14.3345 6.77688 0.55 protocols.relax.FastRelax: CMD: min -51.9113 14.4052 6.74432 0.55 protocols.relax.FastRelax: MRP: 3 -51.9113 -51.9113 14.4052 6.74432 protocols.relax.FastRelax: CMD: accept_to_best -51.9113 14.4052 6.74432 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.9113 14.4052 6.74432 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.9113 14.4052 6.74432 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8186 14.4052 6.74432 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 655 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.0523 14.4052 6.74432 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.3959 14.4052 6.74432 0.02805 protocols.relax.FastRelax: CMD: min -103.2 14.3325 6.94139 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.2 14.3325 6.94139 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.5959 14.3325 6.94139 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 582 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.2413 14.3325 6.94139 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.3798 14.3325 6.94139 0.154 protocols.relax.FastRelax: CMD: min -78.8656 14.3813 6.81211 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.8656 14.3813 6.81211 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2362 14.3813 6.81211 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3518 14.3813 6.81211 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.8274 14.3813 6.81211 0.31955 protocols.relax.FastRelax: CMD: min -61.4099 14.364 6.78231 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4099 14.364 6.78231 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1857 14.364 6.78231 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 57 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.6061 14.364 6.78231 0.55 protocols.relax.FastRelax: CMD: min -52.0065 14.41 6.75324 0.55 protocols.relax.FastRelax: MRP: 4 -52.0065 -52.0065 14.41 6.75324 protocols.relax.FastRelax: CMD: accept_to_best -52.0065 14.41 6.75324 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.0065 14.41 6.75324 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax
Evaluating the folding results by getting the energies and RMSDs (distance from the native pose) of each one of the predicted structures¶
In [23]:
decoy_poses = [prs.pose_from_pdb(f) for f in glob.glob(job_output + '*.pdb')]
core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_21.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_6.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_8.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_11.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_35.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_15.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_47.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_16.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_14.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_38.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_13.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_1.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_23.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_0.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_18.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_12.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_42.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_49.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_33.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_19.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_24.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_43.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_36.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_32.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_17.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_31.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_40.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_5.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_46.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_48.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_41.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_44.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_20.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_30.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_28.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_9.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_10.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_7.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_29.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_37.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_25.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_34.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_4.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_39.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_45.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_27.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_22.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_2.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_3.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_26.pdb' automatically determined to be of type PDB
In [24]:
def align_and_get_rmsds(native_pose, decoy_poses):
prs.rosetta.core.pose.full_model_info.make_sure_full_model_info_is_setup(native_pose)
rmsds = []
for p in decoy_poses:
prs.rosetta.core.pose.full_model_info.make_sure_full_model_info_is_setup(p)
rmsds += [prs.rosetta.protocols.stepwise.modeler.align.superimpose_with_stepwise_aligner(native_pose, p)]
return rmsds
In [25]:
rmsds = align_and_get_rmsds(native_pose, decoy_poses)
protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 48.8475843) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.5821197) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 47.9382341) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 56.1044382) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 51.7425575) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 59.8354860) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 59.3840450) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 49.3883504) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.4810628) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 58.0179111) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 57.5106862) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.0645652) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.7173079) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 59.2135800) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.3378440) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 51.1776164) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 55.8568175) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 51.0947861) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.6679165) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.5519690) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.7825588) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.1349662) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 55.3322582) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 52.7068915) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.9908583) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.3326984) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.3449545) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 47.0786777) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.9992700) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 56.3032806) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 51.4871170) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 56.4384867) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 55.4847754) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 50.8002760) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 57.0471398) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 58.9524788) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 58.2277472) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.8712465) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 57.8701930) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 57.6014694) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.0751719) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 52.9493420) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 51.6979003) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 55.5088391) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.9672096) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 54.1394749) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 57.8703098) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 55.1022875) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 53.2662185) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 172 atoms in 1-57 (RMSD 57.6075654)
In [26]:
rmsd_data = []
for i in range(1, len(decoy_poses)): # print out the job scores
rmsd_data.append({'structure': decoy_poses[i].pdb_info().name(),
'rmsd': rmsds[i],
'energy_score': scores[i]})
In [27]:
rmsd_df = pd.DataFrame(rmsd_data)
In [28]:
rmsd_df.sort_values('energy_score')
Out[28]:
| structure | rmsd | energy_score | |
|---|---|---|---|
| 7 | outputs/belenprotein2/decoy_14.pdb | 53.481063 | -93.493125 |
| 36 | outputs/belenprotein2/decoy_7.pdb | 54.871246 | -82.734784 |
| 4 | outputs/belenprotein2/decoy_15.pdb | 59.835486 | -82.579687 |
| 16 | outputs/belenprotein2/decoy_49.pdb | 51.094786 | -81.943253 |
| 20 | outputs/belenprotein2/decoy_43.pdb | 54.134966 | -81.913137 |
| 47 | outputs/belenprotein2/decoy_3.pdb | 53.266219 | -81.016344 |
| 22 | outputs/belenprotein2/decoy_32.pdb | 52.706892 | -78.615850 |
| 9 | outputs/belenprotein2/decoy_13.pdb | 57.510686 | -75.760952 |
| 8 | outputs/belenprotein2/decoy_38.pdb | 58.017911 | -75.352111 |
| 38 | outputs/belenprotein2/decoy_37.pdb | 57.601469 | -73.664866 |
| 37 | outputs/belenprotein2/decoy_29.pdb | 57.870193 | -73.316814 |
| 27 | outputs/belenprotein2/decoy_46.pdb | 53.999270 | -72.256031 |
| 43 | outputs/belenprotein2/decoy_45.pdb | 53.967210 | -71.920785 |
| 35 | outputs/belenprotein2/decoy_10.pdb | 58.227747 | -69.458154 |
| 31 | outputs/belenprotein2/decoy_20.pdb | 55.484775 | -65.163944 |
| 18 | outputs/belenprotein2/decoy_19.pdb | 53.551969 | -64.675141 |
| 44 | outputs/belenprotein2/decoy_27.pdb | 54.139475 | -64.413854 |
| 45 | outputs/belenprotein2/decoy_22.pdb | 57.870310 | -64.403236 |
| 29 | outputs/belenprotein2/decoy_41.pdb | 51.487117 | -63.332378 |
| 23 | outputs/belenprotein2/decoy_17.pdb | 53.990858 | -61.907787 |
| 5 | outputs/belenprotein2/decoy_47.pdb | 59.384045 | -61.520971 |
| 13 | outputs/belenprotein2/decoy_18.pdb | 53.337844 | -61.493542 |
| 40 | outputs/belenprotein2/decoy_34.pdb | 52.949342 | -60.752139 |
| 17 | outputs/belenprotein2/decoy_33.pdb | 53.667916 | -59.743442 |
| 41 | outputs/belenprotein2/decoy_4.pdb | 51.697900 | -58.565532 |
| 39 | outputs/belenprotein2/decoy_25.pdb | 54.075172 | -57.418203 |
| 25 | outputs/belenprotein2/decoy_40.pdb | 54.344955 | -56.241438 |
| 14 | outputs/belenprotein2/decoy_12.pdb | 51.177616 | -55.453563 |
| 6 | outputs/belenprotein2/decoy_16.pdb | 49.388350 | -54.595326 |
| 32 | outputs/belenprotein2/decoy_30.pdb | 50.800276 | -52.735653 |
| 0 | outputs/belenprotein2/decoy_6.pdb | 53.582120 | -52.275634 |
| 26 | outputs/belenprotein2/decoy_5.pdb | 47.078678 | -52.230047 |
| 10 | outputs/belenprotein2/decoy_1.pdb | 54.064565 | -51.547108 |
| 1 | outputs/belenprotein2/decoy_8.pdb | 47.938234 | -51.011049 |
| 19 | outputs/belenprotein2/decoy_24.pdb | 54.782559 | -50.965565 |
| 33 | outputs/belenprotein2/decoy_28.pdb | 57.047140 | -50.923448 |
| 28 | outputs/belenprotein2/decoy_48.pdb | 56.303281 | -50.798101 |
| 11 | outputs/belenprotein2/decoy_23.pdb | 53.717308 | -49.622556 |
| 48 | outputs/belenprotein2/decoy_26.pdb | 57.607565 | -49.163225 |
| 42 | outputs/belenprotein2/decoy_39.pdb | 55.508839 | -47.839248 |
| 15 | outputs/belenprotein2/decoy_42.pdb | 55.856817 | -47.140199 |
| 21 | outputs/belenprotein2/decoy_36.pdb | 55.332258 | -45.800875 |
| 30 | outputs/belenprotein2/decoy_44.pdb | 56.438487 | -44.762488 |
| 2 | outputs/belenprotein2/decoy_11.pdb | 56.104438 | -44.475098 |
| 3 | outputs/belenprotein2/decoy_35.pdb | 51.742557 | -42.985570 |
| 46 | outputs/belenprotein2/decoy_2.pdb | 55.102287 | -41.223760 |
| 12 | outputs/belenprotein2/decoy_0.pdb | 59.213580 | -39.740897 |
| 24 | outputs/belenprotein2/decoy_31.pdb | 53.332698 | -39.044045 |
| 34 | outputs/belenprotein2/decoy_9.pdb | 58.952479 | -32.345172 |
Q: Plot the energy_score VS rmsd. Are the lowest energy structures the closest to the native one?¶
In [29]:
!jupyter-nbextension enable nglview --py --sys-prefix
Collisions detected in /home/ec2-user/.jupyter/jupyter_notebook_config.py and /home/ec2-user/.jupyter/jupyter_notebook_config.json config files. /home/ec2-user/.jupyter/jupyter_notebook_config.json has higher priority: {
"NotebookApp": {
"password": "'sha1:f71e5d48b858:68b14d1d8e42843d0f85c0358621ec2c7173165d' ignored, using 'sha1:be18e1de3397:c6fba0a1ee8a439e0c2ecf1c43fcbd62de28a4ba'"
}
}
Enabling notebook extension nglview-js-widgets/extension...
- Validating: OK
In [30]:
import matplotlib.pyplot as plt
import matplotlib
from mpl_toolkits.mplot3d import axes3d
import numpy as np
plt.scatter(rmsd_df['rmsd'],rmsd_df['energy_score'])
plt.xlabel('rmsd')
plt.ylabel('energy_score')
plt.show()
np.corrcoef(rmsd_df['rmsd'],rmsd_df['energy_score'])
Out[30]:
array([[ 1. , -0.02723499],
[-0.02723499, 1. ]])
In [34]:
decoy_14 = prs.pose_from_pdb('outputs/belenprotein2/decoy_14.pdb')
view = ngl.show_rosetta(decoy_14)
view
core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_14.pdb' automatically determined to be of type PDB
In [35]:
decoy_7 = prs.pose_from_pdb('outputs/belenprotein2/decoy_7.pdb')
view = ngl.show_rosetta(decoy_7)
view
core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_7.pdb' automatically determined to be of type PDB
In [36]:
decoy_15 = prs.pose_from_pdb('outputs/belenprotein2/decoy_15.pdb')
view = ngl.show_rosetta(decoy_15)
view
core.import_pose.import_pose: File 'outputs/belenprotein2/decoy_15.pdb' automatically determined to be of type PDB
In [ ]: