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=-1319043061 seed_offset=0 real_seed=-1319043061 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-1319043061 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
Requirement already satisfied: pandas in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (1.0.1) Requirement already satisfied: pytz>=2017.2 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from pandas) (2019.3) Requirement already satisfied: numpy>=1.13.3 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from pandas) (1.18.1) Requirement already satisfied: python-dateutil>=2.6.1 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from pandas) (2.8.1) Requirement already satisfied: six>=1.5 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from python-dateutil>=2.6.1->pandas) (1.14.0) Requirement already satisfied: nglview in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (2.7.1) Requirement already satisfied: numpy in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from nglview) (1.18.1) Requirement already satisfied: ipywidgets>=7 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from nglview) (7.5.1) Requirement already satisfied: nbformat>=4.2.0 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from ipywidgets>=7->nglview) (5.0.4) Requirement already satisfied: widgetsnbextension~=3.5.0 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from ipywidgets>=7->nglview) (3.5.1) Requirement already satisfied: traitlets>=4.3.1 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from ipywidgets>=7->nglview) (4.3.3) Requirement already satisfied: ipykernel>=4.5.1 in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from ipywidgets>=7->nglview) (5.1.4) Requirement already satisfied: ipython>=4.0.0; 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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=1921978957 seed_offset=0 real_seed=1921978957 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1921978957 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 1.29 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('ESTAPRQTEINAFVECREADAPQRVELENENDQSMILVEINTEENPLENACRISISDELCQRQNAVIRVS')
We can check the amino acid sequence of the structure with a very simple command.
In [5]:
native_pose.sequence()
Out[5]:
'ESTAPRQTEINAFVECREADAPQRVELENENDQSMILVEINTEENPLENACRISISDELCQRQNAVIRVS'
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: LLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLL
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: GLU:NtermProteinFull (GLU, E): Base: GLU Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS SC_ORBITALS POLAR CHARGED NEGATIVE_CHARGE METALBINDING ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O 1H 2H 3H HA Side-chain atoms: CB CG CD OE1 OE2 1HB 2HB 1HG 2HG Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, -2.76825e-07 CB : 1.99143, -0.764326, -1.21373 CG : 0.911326, -1.33582, -2.12125 CD : -0.479564, -1.0318, -1.63846 OE1: -0.608796, -0.392001, -0.622485 OE2: -1.41432, -1.44, -2.28668 1H : -0.333807, -0.942641, -1.1544e-16 2H : -0.333807, 0.471321, 0.816351 3H : -0.333807, 0.471321, -0.816351 HA : 1.80402, -0.498207, 0.906235 1HB : 2.61722, -0.103406, -1.81372 2HB : 2.61717, -1.59093, -0.876963 1HG : 1.03498, -0.921355, -3.12143 2HG : 1.04033, -2.41528, -2.1867 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 0.14 seconds to load from binary Full Atom Score: 25816.548888604382 core.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 62 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.04 seconds. Centroid Score: 275.9192773225391
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: GLU:NtermProteinFull (GLU, E): Base: GLU Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS POLAR CHARGED NEGATIVE_CHARGE ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O H Side-chain atoms: CB CEN Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, -2.76825e-07 CB : 1.99377, -0.771729, -1.208 CEN: 2.63591, -2.19885, -1.88206 H : -0.5, -0.433013, -0.75 Mirrored relative to coordinates in ResidueType: FALSE Centroid Score: 275.9192773225391
Setting up the folding algorithm¶
In [13]:
# Loading the files with the pre-computed fragmets
long_frag_filename = 'data/random/sequence4/aat000_09_05.200_v1_3.txt'
long_frag_length = 9
short_frag_filename = 'data/random/sequence4/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/belenprotein4/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/sequence4/aat000_09_05.200_v1_3.txt core.fragments.ConstantLengthFragSet: finished reading top 200 3mer fragments from file data/random/sequence4/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/belenprotein4/decoy_23.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 26735.4 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 26735.4 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3264.88 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1030 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 5.85441 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 16.3208 0 0 0.02805 protocols.relax.FastRelax: CMD: min -86.2395 4.83908 4.83908 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -86.2395 4.83908 4.83908 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3295 4.83908 4.83908 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 973 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.0926 4.83908 4.83908 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0532 4.83908 4.83908 0.154 protocols.relax.FastRelax: CMD: min -74.1898 6.66447 6.66447 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.1898 6.66447 6.66447 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0872 6.66447 6.66447 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1118 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.3402 6.66447 6.66447 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.8435 6.66447 6.66447 0.31955 protocols.relax.FastRelax: CMD: min -54.3442 6.64466 6.64466 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.3442 6.64466 6.64466 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.577 6.64466 6.64466 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1112 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5193 6.64466 6.64466 0.55 protocols.relax.FastRelax: CMD: min -77.5083 10.3707 10.3707 0.55 protocols.relax.FastRelax: MRP: 0 -77.5083 -77.5083 10.3707 10.3707 protocols.relax.FastRelax: CMD: accept_to_best -77.5083 10.3707 10.3707 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.5083 10.3707 10.3707 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5083 10.3707 10.3707 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.09 10.3707 10.3707 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1116 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.549 10.3707 10.3707 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -113.859 10.3707 10.3707 0.02805 protocols.relax.FastRelax: CMD: min -132.843 10.7771 10.7771 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -132.843 10.7771 10.7771 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5708 10.7771 10.7771 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1044 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.9978 10.7771 10.7771 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.7351 10.7771 10.7771 0.154 protocols.relax.FastRelax: CMD: min -111.781 10.4483 10.4483 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -111.781 10.4483 10.4483 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -91.6447 10.4483 10.4483 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1039 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.8675 10.4483 10.4483 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.2794 10.4483 10.4483 0.31955 protocols.relax.FastRelax: CMD: min -91.2786 10.412 10.412 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.2786 10.412 10.412 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.4191 10.412 10.412 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1028 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.082 10.412 10.412 0.55 protocols.relax.FastRelax: CMD: min -86.0363 9.99844 9.99844 0.55 protocols.relax.FastRelax: MRP: 1 -86.0363 -86.0363 9.99844 9.99844 protocols.relax.FastRelax: CMD: accept_to_best -86.0363 9.99844 9.99844 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.0363 9.99844 9.99844 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0363 9.99844 9.99844 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.535 9.99844 9.99844 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1128 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -122.848 9.99844 9.99844 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.318 9.99844 9.99844 0.02805 protocols.relax.FastRelax: CMD: min -127.984 10.1253 10.1253 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.984 10.1253 10.1253 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -106.279 10.1253 10.1253 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1076 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.375 10.1253 10.1253 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.097 10.1253 10.1253 0.154 protocols.relax.FastRelax: CMD: min -113.757 10.05 10.05 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -113.757 10.05 10.05 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.0938 10.05 10.05 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1062 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.5863 10.05 10.05 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.4128 10.05 10.05 0.31955 protocols.relax.FastRelax: CMD: min -101.335 10.025 10.025 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.335 10.025 10.025 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -82.3319 10.025 10.025 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1055 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.5951 10.025 10.025 0.55 protocols.relax.FastRelax: CMD: min -86.0405 10.0029 10.0029 0.55 protocols.relax.FastRelax: MRP: 2 -86.0405 -86.0405 10.0029 10.0029 protocols.relax.FastRelax: CMD: accept_to_best -86.0405 10.0029 10.0029 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.0405 10.0029 10.0029 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0405 10.0029 10.0029 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.475 10.0029 10.0029 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1127 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -122.795 10.0029 10.0029 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.279 10.0029 10.0029 0.02805 protocols.relax.FastRelax: CMD: min -127.932 10.1289 10.1289 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.932 10.1289 10.1289 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -106.233 10.1289 10.1289 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1075 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.259 10.1289 10.1289 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.978 10.1289 10.1289 0.154 protocols.relax.FastRelax: CMD: min -114.136 10.0509 10.0509 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -114.136 10.0509 10.0509 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.7919 10.0509 10.0509 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1062 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.4771 10.0509 10.0509 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.2872 10.0509 10.0509 0.31955 protocols.relax.FastRelax: CMD: min -100.696 10.019 10.019 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.696 10.019 10.019 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6361 10.019 10.019 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1056 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.7005 10.019 10.019 0.55 protocols.relax.FastRelax: CMD: min -86.0471 10.0083 10.0083 0.55 protocols.relax.FastRelax: MRP: 3 -86.0471 -86.0471 10.0083 10.0083 protocols.relax.FastRelax: CMD: accept_to_best -86.0471 10.0083 10.0083 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.0471 10.0083 10.0083 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0471 10.0083 10.0083 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.481 10.0083 10.0083 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1127 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -122.81 10.0083 10.0083 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.286 10.0083 10.0083 0.02805 protocols.relax.FastRelax: CMD: min -127.936 10.1328 10.1328 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.936 10.1328 10.1328 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -105.976 10.1328 10.1328 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1075 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.012 10.1328 10.1328 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.714 10.1328 10.1328 0.154 protocols.relax.FastRelax: CMD: min -113.949 10.0566 10.0566 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -113.949 10.0566 10.0566 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.3593 10.0566 10.0566 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1062 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.6977 10.0566 10.0566 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.5252 10.0566 10.0566 0.31955 protocols.relax.FastRelax: CMD: min -100.955 10.0203 10.0203 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.955 10.0203 10.0203 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2365 10.0203 10.0203 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1056 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.5994 10.0203 10.0203 0.55 protocols.relax.FastRelax: CMD: min -86.0442 10.0023 10.0023 0.55 protocols.relax.FastRelax: MRP: 4 -86.0442 -86.0471 10.0083 10.0083 protocols.relax.FastRelax: CMD: accept_to_best -86.0442 10.0023 10.0023 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.0442 10.0023 10.0023 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_13.pdb protocols.relax.FastRelax: CMD: repeat 21537.6 14.873 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21537.6 14.873 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3428.49 14.873 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1252 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.669113 14.873 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 10.4943 14.873 0 0.02805 protocols.relax.FastRelax: CMD: min -97.175 14.7176 3.80911 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.175 14.7176 3.80911 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0485 14.7176 3.80911 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1190 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.0093 14.7176 3.80911 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4931 14.7176 3.80911 0.154 protocols.relax.FastRelax: CMD: min -81.0628 14.632 4.08182 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.0628 14.632 4.08182 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5502 14.632 4.08182 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1185 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.0605 14.632 4.08182 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5282 14.632 4.08182 0.31955 protocols.relax.FastRelax: CMD: min -61.5058 14.6368 4.067 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.5058 14.6368 4.067 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0727 14.6368 4.067 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1171 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.1368 14.6368 4.067 0.55 protocols.relax.FastRelax: CMD: min -72.8213 14.4213 4.40318 0.55 protocols.relax.FastRelax: MRP: 0 -72.8213 -72.8213 14.4213 4.40318 protocols.relax.FastRelax: CMD: accept_to_best -72.8213 14.4213 4.40318 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.8213 14.4213 4.40318 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8213 14.4213 4.40318 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.245 14.4213 4.40318 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1316 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.115 14.4213 4.40318 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -108.454 14.4213 4.40318 0.02805 protocols.relax.FastRelax: CMD: min -111.111 14.3479 4.31733 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.111 14.3479 4.31733 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.2939 14.3479 4.31733 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1233 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.3749 14.3479 4.31733 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4613 14.3479 4.31733 0.154 protocols.relax.FastRelax: CMD: min -96.141 14.3744 4.30543 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.141 14.3744 4.30543 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9015 14.3744 4.30543 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1211 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.4986 14.3744 4.30543 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2123 14.3744 4.30543 0.31955 protocols.relax.FastRelax: CMD: min -86.793 14.4059 4.49038 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.793 14.4059 4.49038 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2473 14.4059 4.49038 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1201 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.2822 14.4059 4.49038 0.55 protocols.relax.FastRelax: CMD: min -76.4816 14.5616 4.1815 0.55 protocols.relax.FastRelax: MRP: 1 -76.4816 -76.4816 14.5616 4.1815 protocols.relax.FastRelax: CMD: accept_to_best -76.4816 14.5616 4.1815 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.4816 14.5616 4.1815 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4816 14.5616 4.1815 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -108.848 14.5616 4.1815 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1325 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.796 14.5616 4.1815 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.901 14.5616 4.1815 0.02805 protocols.relax.FastRelax: CMD: min -117.694 14.575 4.10381 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -117.694 14.575 4.10381 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.768 14.575 4.10381 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1248 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.6561 14.575 4.10381 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -97.4257 14.575 4.10381 0.154 protocols.relax.FastRelax: CMD: min -103.294 14.6104 4.05138 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -103.294 14.6104 4.05138 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -88.7409 14.6104 4.05138 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1229 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.7585 14.6104 4.05138 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.6116 14.6104 4.05138 0.31955 protocols.relax.FastRelax: CMD: min -90.5834 14.5677 4.13975 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.5834 14.5677 4.13975 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3432 14.5677 4.13975 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1212 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.3434 14.5677 4.13975 0.55 protocols.relax.FastRelax: CMD: min -77.4947 14.6185 4.1414 0.55 protocols.relax.FastRelax: MRP: 2 -77.4947 -77.4947 14.6185 4.1414 protocols.relax.FastRelax: CMD: accept_to_best -77.4947 14.6185 4.1414 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.4947 14.6185 4.1414 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.4947 14.6185 4.1414 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.94 14.6185 4.1414 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1325 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.674 14.6185 4.1414 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.011 14.6185 4.1414 0.02805 protocols.relax.FastRelax: CMD: min -121.667 14.487 4.27157 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.667 14.487 4.27157 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -95.5619 14.487 4.27157 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1243 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.9688 14.487 4.27157 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.4542 14.487 4.27157 0.154 protocols.relax.FastRelax: CMD: min -104.573 14.5402 4.19255 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.573 14.5402 4.19255 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -88.5503 14.5402 4.19255 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1218 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.559 14.5402 4.19255 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2961 14.5402 4.19255 0.31955 protocols.relax.FastRelax: CMD: min -89.152 14.5714 4.18838 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -89.152 14.5714 4.18838 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7687 14.5714 4.18838 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1203 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.7887 14.5714 4.18838 0.55 protocols.relax.FastRelax: CMD: min -77.4878 14.6087 4.14607 0.55 protocols.relax.FastRelax: MRP: 3 -77.4878 -77.4947 14.6185 4.1414 protocols.relax.FastRelax: CMD: accept_to_best -77.4878 14.6087 4.14607 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.4878 14.6087 4.14607 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.4878 14.6087 4.14607 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.966 14.6087 4.14607 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1326 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.529 14.6087 4.14607 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.844 14.6087 4.14607 0.02805 protocols.relax.FastRelax: CMD: min -127.634 14.5123 4.24278 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.634 14.5123 4.24278 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.6658 14.5123 4.24278 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1236 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.8238 14.5123 4.24278 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6698 14.5123 4.24278 0.154 protocols.relax.FastRelax: CMD: min -106.364 14.624 4.24868 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.364 14.624 4.24868 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.3417 14.624 4.24868 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1217 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.441 14.624 4.24868 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.9483 14.624 4.24868 0.31955 protocols.relax.FastRelax: CMD: min -91.3056 14.6398 4.18932 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.3056 14.6398 4.18932 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.015 14.6398 4.18932 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1212 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.9511 14.6398 4.18932 0.55 protocols.relax.FastRelax: CMD: min -77.4938 14.6056 4.147 0.55 protocols.relax.FastRelax: MRP: 4 -77.4938 -77.4947 14.6185 4.1414 protocols.relax.FastRelax: CMD: accept_to_best -77.4938 14.6056 4.147 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.4938 14.6056 4.147 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_27.pdb protocols.relax.FastRelax: CMD: repeat 21659.7 11.943 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21659.7 11.943 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3008.92 11.943 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1105 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -1.96319 11.943 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 11.6208 11.943 0 0.02805 protocols.relax.FastRelax: CMD: min -51.0339 12.6573 3.39317 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -51.0339 12.6573 3.39317 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 179.685 12.6573 3.39317 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1216 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8382 12.6573 3.39317 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.8157 12.6573 3.39317 0.154 protocols.relax.FastRelax: CMD: min -75.0215 12.7103 4.16425 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0215 12.7103 4.16425 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0661 12.7103 4.16425 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1188 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.4048 12.7103 4.16425 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6153 12.7103 4.16425 0.31955 protocols.relax.FastRelax: CMD: min -63.5975 12.7011 3.97163 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5975 12.7011 3.97163 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6216 12.7011 3.97163 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1159 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.6775 12.7011 3.97163 0.55 protocols.relax.FastRelax: CMD: min -65.3406 12.8411 4.31042 0.55 protocols.relax.FastRelax: MRP: 0 -65.3406 -65.3406 12.8411 4.31042 protocols.relax.FastRelax: CMD: accept_to_best -65.3406 12.8411 4.31042 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.3406 12.8411 4.31042 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.3406 12.8411 4.31042 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.4559 12.8411 4.31042 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1208 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.982 12.8411 4.31042 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.82 12.8411 4.31042 0.02805 protocols.relax.FastRelax: CMD: min -114.466 12.8146 4.58414 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -114.466 12.8146 4.58414 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -80.3496 12.8146 4.58414 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1122 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.2038 12.8146 4.58414 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2729 12.8146 4.58414 0.154 protocols.relax.FastRelax: CMD: min -95.9633 12.7908 4.55378 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.9633 12.7908 4.55378 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.9846 12.7908 4.55378 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1099 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0978 12.7908 4.55378 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.8675 12.7908 4.55378 0.31955 protocols.relax.FastRelax: CMD: min -79.8059 12.8091 4.54799 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.8059 12.8091 4.54799 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0649 12.8091 4.54799 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1076 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.1879 12.8091 4.54799 0.55 protocols.relax.FastRelax: CMD: min -74.0685 13.0501 4.75745 0.55 protocols.relax.FastRelax: MRP: 1 -74.0685 -74.0685 13.0501 4.75745 protocols.relax.FastRelax: CMD: accept_to_best -74.0685 13.0501 4.75745 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.0685 13.0501 4.75745 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.0685 13.0501 4.75745 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -104.924 13.0501 4.75745 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1192 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.062 13.0501 4.75745 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -106.724 13.0501 4.75745 0.02805 protocols.relax.FastRelax: CMD: min -126.046 13.0587 4.98743 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.046 13.0587 4.98743 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.5297 13.0587 4.98743 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1128 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.9377 13.0587 4.98743 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1739 13.0587 4.98743 0.154 protocols.relax.FastRelax: CMD: min -101.602 13.0722 4.7861 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.602 13.0722 4.7861 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.2501 13.0722 4.7861 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1069 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.0939 13.0722 4.7861 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -82.6451 13.0722 4.7861 0.31955 protocols.relax.FastRelax: CMD: min -86.4543 13.0627 4.71048 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.4543 13.0627 4.71048 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.1227 13.0627 4.71048 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1068 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.17 13.0627 4.71048 0.55 protocols.relax.FastRelax: CMD: min -85.7754 12.8278 4.62436 0.55 protocols.relax.FastRelax: MRP: 2 -85.7754 -85.7754 12.8278 4.62436 protocols.relax.FastRelax: CMD: accept_to_best -85.7754 12.8278 4.62436 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.7754 12.8278 4.62436 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.7754 12.8278 4.62436 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.751 12.8278 4.62436 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1190 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.413 12.8278 4.62436 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -119.235 12.8278 4.62436 0.02805 protocols.relax.FastRelax: CMD: min -134.664 12.8222 4.72143 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -134.664 12.8222 4.72143 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -90.7553 12.8222 4.72143 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1144 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.637 12.8222 4.72143 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5766 12.8222 4.72143 0.154 protocols.relax.FastRelax: CMD: min -110.788 12.7689 4.63117 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -110.788 12.7689 4.63117 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7762 12.7689 4.63117 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1088 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.8181 12.7689 4.63117 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.3735 12.7689 4.63117 0.31955 protocols.relax.FastRelax: CMD: min -98.2809 12.8001 4.68566 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -98.2809 12.8001 4.68566 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6265 12.8001 4.68566 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1053 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.25 12.8001 4.68566 0.55 protocols.relax.FastRelax: CMD: min -86.9876 12.825 4.59851 0.55 protocols.relax.FastRelax: MRP: 3 -86.9876 -86.9876 12.825 4.59851 protocols.relax.FastRelax: CMD: accept_to_best -86.9876 12.825 4.59851 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.9876 12.825 4.59851 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.9876 12.825 4.59851 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -119.079 12.825 4.59851 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1189 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.162 12.825 4.59851 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -119.769 12.825 4.59851 0.02805 protocols.relax.FastRelax: CMD: min -128.466 12.8294 4.7037 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -128.466 12.8294 4.7037 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1009 12.8294 4.7037 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1141 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.1057 12.8294 4.7037 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.3453 12.8294 4.7037 0.154 protocols.relax.FastRelax: CMD: min -110.933 12.8852 4.74679 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -110.933 12.8852 4.74679 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.336 12.8852 4.74679 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1108 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.3982 12.8852 4.74679 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.1674 12.8852 4.74679 0.31955 protocols.relax.FastRelax: CMD: min -97.7713 12.9017 4.70193 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.7713 12.9017 4.70193 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -80.5783 12.9017 4.70193 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1066 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.5797 12.9017 4.70193 0.55 protocols.relax.FastRelax: CMD: min -87.2946 12.9648 4.65169 0.55 protocols.relax.FastRelax: MRP: 4 -87.2946 -87.2946 12.9648 4.65169 protocols.relax.FastRelax: CMD: accept_to_best -87.2946 12.9648 4.65169 0.55 protocols.relax.FastRelax: CMD: endrepeat -87.2946 12.9648 4.65169 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_44.pdb protocols.relax.FastRelax: CMD: repeat 24374.8 17.5782 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24374.8 17.5782 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3588.96 17.5782 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1005 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 19.2214 17.5782 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 36.6174 17.5782 0 0.02805 protocols.relax.FastRelax: CMD: min -83.1054 17.3332 1.67074 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1054 17.3332 1.67074 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6498 17.3332 1.67074 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1007 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.8487 17.3332 1.67074 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.6688 17.3332 1.67074 0.154 protocols.relax.FastRelax: CMD: min -62.2405 17.4059 1.6926 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.2405 17.4059 1.6926 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.9363 17.4059 1.6926 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1003 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.7214 17.4059 1.6926 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.001 17.4059 1.6926 0.31955 protocols.relax.FastRelax: CMD: min -52.5258 17.4175 1.64171 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.5258 17.4175 1.64171 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5976 17.4175 1.64171 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 992 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.9817 17.4175 1.64171 0.55 protocols.relax.FastRelax: CMD: min -56.0543 17.4344 1.58398 0.55 protocols.relax.FastRelax: MRP: 0 -56.0543 -56.0543 17.4344 1.58398 protocols.relax.FastRelax: CMD: accept_to_best -56.0543 17.4344 1.58398 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.0543 17.4344 1.58398 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.0543 17.4344 1.58398 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.0357 17.4344 1.58398 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1018 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.4464 17.4344 1.58398 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9246 17.4344 1.58398 0.02805 protocols.relax.FastRelax: CMD: min -113.52 17.2166 1.78627 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.52 17.2166 1.78627 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9339 17.2166 1.78627 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 968 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.4156 17.2166 1.78627 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.8364 17.2166 1.78627 0.154 protocols.relax.FastRelax: CMD: min -88.9464 17.3111 1.68001 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.9464 17.3111 1.68001 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5717 17.3111 1.68001 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 967 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.5853 17.3111 1.68001 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1365 17.3111 1.68001 0.31955 protocols.relax.FastRelax: CMD: min -72.6752 17.3779 1.64239 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.6752 17.3779 1.64239 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.8505 17.3779 1.64239 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 958 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8696 17.3779 1.64239 0.55 protocols.relax.FastRelax: CMD: min -63.7463 17.3732 1.67963 0.55 protocols.relax.FastRelax: MRP: 1 -63.7463 -63.7463 17.3732 1.67963 protocols.relax.FastRelax: CMD: accept_to_best -63.7463 17.3732 1.67963 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.7463 17.3732 1.67963 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7463 17.3732 1.67963 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.0081 17.3732 1.67963 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1009 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.7392 17.3732 1.67963 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.5403 17.3732 1.67963 0.02805 protocols.relax.FastRelax: CMD: min -119.155 17.1168 1.93697 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.155 17.1168 1.93697 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.606 17.1168 1.93697 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 981 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.299 17.1168 1.93697 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4801 17.1168 1.93697 0.154 protocols.relax.FastRelax: CMD: min -94.7284 17.2036 1.80894 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7284 17.2036 1.80894 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.6704 17.2036 1.80894 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 971 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.6931 17.2036 1.80894 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1909 17.2036 1.80894 0.31955 protocols.relax.FastRelax: CMD: min -77.5248 17.2563 1.80218 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5248 17.2563 1.80218 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.2471 17.2563 1.80218 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 945 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.2825 17.2563 1.80218 0.55 protocols.relax.FastRelax: CMD: min -65.4148 17.3035 1.7961 0.55 protocols.relax.FastRelax: MRP: 2 -65.4148 -65.4148 17.3035 1.7961 protocols.relax.FastRelax: CMD: accept_to_best -65.4148 17.3035 1.7961 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.4148 17.3035 1.7961 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4148 17.3035 1.7961 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.5568 17.3035 1.7961 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 991 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.244 17.3035 1.7961 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.4363 17.3035 1.7961 0.02805 protocols.relax.FastRelax: CMD: min -116.553 17.0829 2.01955 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.553 17.0829 2.01955 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.2081 17.0829 2.01955 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 961 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6769 17.0829 2.01955 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1824 17.0829 2.01955 0.154 protocols.relax.FastRelax: CMD: min -94.1063 17.1712 1.88328 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.1063 17.1712 1.88328 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4745 17.1712 1.88328 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 959 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.5161 17.1712 1.88328 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1255 17.1712 1.88328 0.31955 protocols.relax.FastRelax: CMD: min -77.9412 17.2387 1.84679 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9412 17.2387 1.84679 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.7007 17.2387 1.84679 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 956 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.7007 17.2387 1.84679 0.55 protocols.relax.FastRelax: CMD: min -65.4204 17.3035 1.78803 0.55 protocols.relax.FastRelax: MRP: 3 -65.4204 -65.4204 17.3035 1.78803 protocols.relax.FastRelax: CMD: accept_to_best -65.4204 17.3035 1.78803 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.4204 17.3035 1.78803 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4204 17.3035 1.78803 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.3279 17.3035 1.78803 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 990 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.716 17.3035 1.78803 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.045 17.3035 1.78803 0.02805 protocols.relax.FastRelax: CMD: min -113.554 17.1181 1.97343 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.554 17.1181 1.97343 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.6734 17.1181 1.97343 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 942 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.1628 17.1181 1.97343 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.6489 17.1181 1.97343 0.154 protocols.relax.FastRelax: CMD: min -94.8657 17.1831 1.88361 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.8657 17.1831 1.88361 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.8774 17.1831 1.88361 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 936 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.8825 17.1831 1.88361 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.6218 17.1831 1.88361 0.31955 protocols.relax.FastRelax: CMD: min -80.3529 17.2247 1.84742 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.3529 17.2247 1.84742 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7519 17.2247 1.84742 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 932 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.8085 17.2247 1.84742 0.55 protocols.relax.FastRelax: CMD: min -65.9761 17.2851 1.82717 0.55 protocols.relax.FastRelax: MRP: 4 -65.9761 -65.9761 17.2851 1.82717 protocols.relax.FastRelax: CMD: accept_to_best -65.9761 17.2851 1.82717 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.9761 17.2851 1.82717 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_17.pdb protocols.relax.FastRelax: CMD: repeat 24407.6 15.8671 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24407.6 15.8671 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3302.22 15.8671 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 36.8961 15.8671 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 50.6115 15.8671 0 0.02805 protocols.relax.FastRelax: CMD: min -92.4897 16.2101 3.30422 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4897 16.2101 3.30422 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1199 16.2101 3.30422 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1090 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.1084 16.2101 3.30422 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.4602 16.2101 3.30422 0.154 protocols.relax.FastRelax: CMD: min -76.8978 16.2401 3.44053 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.8978 16.2401 3.44053 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1431 16.2401 3.44053 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1015 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.0572 16.2401 3.44053 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.4603 16.2401 3.44053 0.31955 protocols.relax.FastRelax: CMD: min -59.4236 16.305 3.4615 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.4236 16.305 3.4615 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.2961 16.305 3.4615 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 958 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.3783 16.305 3.4615 0.55 protocols.relax.FastRelax: CMD: min -66.1854 16.6045 5.30986 0.55 protocols.relax.FastRelax: MRP: 0 -66.1854 -66.1854 16.6045 5.30986 protocols.relax.FastRelax: CMD: accept_to_best -66.1854 16.6045 5.30986 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.1854 16.6045 5.30986 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.1854 16.6045 5.30986 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -99.1979 16.6045 5.30986 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1028 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.244 16.6045 5.30986 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.338 16.6045 5.30986 0.02805 protocols.relax.FastRelax: CMD: min -119.252 16.3414 4.79395 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.252 16.3414 4.79395 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.0479 16.3414 4.79395 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 983 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.5035 16.3414 4.79395 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1987 16.3414 4.79395 0.154 protocols.relax.FastRelax: CMD: min -93.7881 16.4814 4.86951 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.7881 16.4814 4.86951 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3926 16.4814 4.86951 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.0916 16.4814 4.86951 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6959 16.4814 4.86951 0.31955 protocols.relax.FastRelax: CMD: min -78.9553 16.5332 4.87558 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.9553 16.5332 4.87558 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.636 16.5332 4.87558 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 957 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.7577 16.5332 4.87558 0.55 protocols.relax.FastRelax: CMD: min -71.6632 16.6514 5.33045 0.55 protocols.relax.FastRelax: MRP: 1 -71.6632 -71.6632 16.6514 5.33045 protocols.relax.FastRelax: CMD: accept_to_best -71.6632 16.6514 5.33045 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.6632 16.6514 5.33045 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.6632 16.6514 5.33045 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.596 16.6514 5.33045 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1018 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.258 16.6514 5.33045 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.169 16.6514 5.33045 0.02805 protocols.relax.FastRelax: CMD: min -119.956 16.3928 4.92887 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.956 16.3928 4.92887 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7658 16.3928 4.92887 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1032 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.6708 16.3928 4.92887 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.5842 16.3928 4.92887 0.154 protocols.relax.FastRelax: CMD: min -101.139 16.3922 4.8134 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.139 16.3922 4.8134 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.6057 16.3922 4.8134 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 978 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.7331 16.3922 4.8134 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.4296 16.3922 4.8134 0.31955 protocols.relax.FastRelax: CMD: min -86.7329 16.4423 4.91584 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.7329 16.4423 4.91584 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7789 16.4423 4.91584 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 973 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.9484 16.4423 4.91584 0.55 protocols.relax.FastRelax: CMD: min -72.3879 16.5458 5.17245 0.55 protocols.relax.FastRelax: MRP: 2 -72.3879 -72.3879 16.5458 5.17245 protocols.relax.FastRelax: CMD: accept_to_best -72.3879 16.5458 5.17245 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.3879 16.5458 5.17245 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.3879 16.5458 5.17245 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.221 16.5458 5.17245 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1016 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.666 16.5458 5.17245 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -106.971 16.5458 5.17245 0.02805 protocols.relax.FastRelax: CMD: min -126.255 15.9641 4.73249 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.255 15.9641 4.73249 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5302 15.9641 4.73249 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1001 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.7975 15.9641 4.73249 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6087 15.9641 4.73249 0.154 protocols.relax.FastRelax: CMD: min -101.791 16.1769 4.65905 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.791 16.1769 4.65905 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9578 16.1769 4.65905 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 964 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.3626 16.1769 4.65905 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9024 16.1769 4.65905 0.31955 protocols.relax.FastRelax: CMD: min -83.8388 16.1901 4.64463 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.8388 16.1901 4.64463 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3074 16.1901 4.64463 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 950 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.5283 16.1901 4.64463 0.55 protocols.relax.FastRelax: CMD: min -72.2843 16.5096 4.61593 0.55 protocols.relax.FastRelax: MRP: 3 -72.2843 -72.3879 16.5458 5.17245 protocols.relax.FastRelax: CMD: accept_to_best -72.2843 16.5096 4.61593 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.2843 16.5096 4.61593 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.2843 16.5096 4.61593 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.638 16.5096 4.61593 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1014 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.686 16.5096 4.61593 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.904 16.5096 4.61593 0.02805 protocols.relax.FastRelax: CMD: min -110.968 16.5638 4.63448 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.968 16.5638 4.63448 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -88.0977 16.5638 4.63448 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 969 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.9895 16.5638 4.63448 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -94.0109 16.5638 4.63448 0.154 protocols.relax.FastRelax: CMD: min -98.4306 16.5042 4.6011 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.4306 16.5042 4.6011 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4038 16.5042 4.6011 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 947 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.3396 16.5042 4.6011 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4078 16.5042 4.6011 0.31955 protocols.relax.FastRelax: CMD: min -87.1122 16.4918 4.59439 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.1122 16.4918 4.59439 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9575 16.4918 4.59439 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 921 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.023 16.4918 4.59439 0.55 protocols.relax.FastRelax: CMD: min -72.5386 16.5016 4.61165 0.55 protocols.relax.FastRelax: MRP: 4 -72.5386 -72.5386 16.5016 4.61165 protocols.relax.FastRelax: CMD: accept_to_best -72.5386 16.5016 4.61165 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.5386 16.5016 4.61165 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_19.pdb protocols.relax.FastRelax: CMD: repeat 23179.3 12.4568 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 23179.3 12.4568 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3769.16 12.4568 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1089 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 11.8665 12.4568 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 19.8578 12.4568 0 0.02805 protocols.relax.FastRelax: CMD: min -103.367 12.6115 2.37783 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.367 12.6115 2.37783 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6176 12.6115 2.37783 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1226 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.628 12.6115 2.37783 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6656 12.6115 2.37783 0.154 protocols.relax.FastRelax: CMD: min -88.6947 12.6587 2.48435 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.6947 12.6587 2.48435 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0136 12.6587 2.48435 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1199 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8992 12.6587 2.48435 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.2445 12.6587 2.48435 0.31955 protocols.relax.FastRelax: CMD: min -77.7661 12.719 2.42437 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.7661 12.719 2.42437 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5107 12.719 2.42437 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1167 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.804 12.719 2.42437 0.55 protocols.relax.FastRelax: CMD: min -85.9869 12.6703 2.99594 0.55 protocols.relax.FastRelax: MRP: 0 -85.9869 -85.9869 12.6703 2.99594 protocols.relax.FastRelax: CMD: accept_to_best -85.9869 12.6703 2.99594 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.9869 12.6703 2.99594 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9869 12.6703 2.99594 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -118.307 12.6703 2.99594 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1374 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -124.278 12.6703 2.99594 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -123.711 12.6703 2.99594 0.02805 protocols.relax.FastRelax: CMD: min -131.808 12.7477 3.01235 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -131.808 12.7477 3.01235 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -101.526 12.7477 3.01235 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1319 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.899 12.7477 3.01235 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.347 12.7477 3.01235 0.154 protocols.relax.FastRelax: CMD: min -115.478 12.6717 2.99625 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -115.478 12.6717 2.99625 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -99.5931 12.6717 2.99625 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1318 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.878 12.6717 2.99625 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -99.6267 12.6717 2.99625 0.31955 protocols.relax.FastRelax: CMD: min -101.655 12.6475 2.99689 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.655 12.6475 2.99689 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -80.5971 12.6475 2.99689 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1306 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.7667 12.6475 2.99689 0.55 protocols.relax.FastRelax: CMD: min -95.2423 12.5756 3.06108 0.55 protocols.relax.FastRelax: MRP: 1 -95.2423 -95.2423 12.5756 3.06108 protocols.relax.FastRelax: CMD: accept_to_best -95.2423 12.5756 3.06108 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.2423 12.5756 3.06108 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -95.2423 12.5756 3.06108 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -128.694 12.5756 3.06108 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1426 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -130.429 12.5756 3.06108 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.856 12.5756 3.06108 0.02805 protocols.relax.FastRelax: CMD: min -148.329 12.4883 3.27206 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -148.329 12.4883 3.27206 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -104.961 12.4883 3.27206 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1306 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.782 12.4883 3.27206 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.605 12.4883 3.27206 0.154 protocols.relax.FastRelax: CMD: min -123.779 12.4937 3.34287 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -123.779 12.4937 3.34287 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -105.632 12.4937 3.34287 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1303 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.002 12.4937 3.34287 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -104.575 12.4937 3.34287 0.31955 protocols.relax.FastRelax: CMD: min -105.616 12.4919 3.32867 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -105.616 12.4919 3.32867 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0544 12.4919 3.32867 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1272 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.6149 12.4919 3.32867 0.55 protocols.relax.FastRelax: CMD: min -101.531 12.7945 3.16559 0.55 protocols.relax.FastRelax: MRP: 2 -101.531 -101.531 12.7945 3.16559 protocols.relax.FastRelax: CMD: accept_to_best -101.531 12.7945 3.16559 0.55 protocols.relax.FastRelax: CMD: endrepeat -101.531 12.7945 3.16559 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -101.531 12.7945 3.16559 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -136.626 12.7945 3.16559 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1444 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -139.377 12.7945 3.16559 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -138.224 12.7945 3.16559 0.02805 protocols.relax.FastRelax: CMD: min -146.596 12.8081 3.20515 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -146.596 12.8081 3.20515 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -110.396 12.8081 3.20515 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1325 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.989 12.8081 3.20515 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.466 12.8081 3.20515 0.154 protocols.relax.FastRelax: CMD: min -131.006 12.737 3.25421 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -131.006 12.737 3.25421 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -114.041 12.737 3.25421 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1298 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.631 12.737 3.25421 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -113.304 12.737 3.25421 0.31955 protocols.relax.FastRelax: CMD: min -114.984 12.723 3.23235 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -114.984 12.723 3.23235 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -92.8844 12.723 3.23235 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1278 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.885 12.723 3.23235 0.55 protocols.relax.FastRelax: CMD: min -101.6 12.7998 3.14284 0.55 protocols.relax.FastRelax: MRP: 3 -101.6 -101.6 12.7998 3.14284 protocols.relax.FastRelax: CMD: accept_to_best -101.6 12.7998 3.14284 0.55 protocols.relax.FastRelax: CMD: endrepeat -101.6 12.7998 3.14284 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -101.6 12.7998 3.14284 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -136.608 12.7998 3.14284 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1441 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -139.296 12.7998 3.14284 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -138.145 12.7998 3.14284 0.02805 protocols.relax.FastRelax: CMD: min -146.426 12.8184 3.18979 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -146.426 12.8184 3.18979 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -109.383 12.8184 3.18979 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1323 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.928 12.8184 3.18979 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -119.337 12.8184 3.18979 0.154 protocols.relax.FastRelax: CMD: min -130.725 12.7631 3.18853 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -130.725 12.7631 3.18853 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -114.213 12.7631 3.18853 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1295 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.397 12.7631 3.18853 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -113.113 12.7631 3.18853 0.31955 protocols.relax.FastRelax: CMD: min -114.307 12.7494 3.1625 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -114.307 12.7494 3.1625 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -92.3309 12.7494 3.1625 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1272 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.3313 12.7494 3.1625 0.55 protocols.relax.FastRelax: CMD: min -101.602 12.8006 3.13806 0.55 protocols.relax.FastRelax: MRP: 4 -101.602 -101.602 12.8006 3.13806 protocols.relax.FastRelax: CMD: accept_to_best -101.602 12.8006 3.13806 0.55 protocols.relax.FastRelax: CMD: endrepeat -101.602 12.8006 3.13806 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_49.pdb protocols.relax.FastRelax: CMD: repeat 19639.7 12.3982 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 19639.7 12.3982 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3313.7 12.3982 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1032 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.2263 12.3982 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -19.6889 12.3982 0 0.02805 protocols.relax.FastRelax: CMD: min -72.0978 12.6031 2.33896 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.0978 12.6031 2.33896 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.0072 12.6031 2.33896 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 989 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.5617 12.6031 2.33896 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -50.128 12.6031 2.33896 0.154 protocols.relax.FastRelax: CMD: min -63.618 12.51 2.00175 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.618 12.51 2.00175 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4223 12.51 2.00175 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 971 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.5345 12.51 2.00175 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6523 12.51 2.00175 0.31955 protocols.relax.FastRelax: CMD: min -51.7276 12.5045 1.99392 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.7276 12.5045 1.99392 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0186 12.5045 1.99392 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 968 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9417 12.5045 1.99392 0.55 protocols.relax.FastRelax: CMD: min -65.0428 12.6921 2.68266 0.55 protocols.relax.FastRelax: MRP: 0 -65.0428 -65.0428 12.6921 2.68266 protocols.relax.FastRelax: CMD: accept_to_best -65.0428 12.6921 2.68266 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.0428 12.6921 2.68266 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.0428 12.6921 2.68266 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.9831 12.6921 2.68266 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 981 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.4942 12.6921 2.68266 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2276 12.6921 2.68266 0.02805 protocols.relax.FastRelax: CMD: min -87.3468 12.6973 2.67886 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.3468 12.6973 2.67886 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -82.1173 12.6973 2.67886 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 955 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.2785 12.6973 2.67886 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9132 12.6973 2.67886 0.154 protocols.relax.FastRelax: CMD: min -81.9753 12.695 2.67813 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.9753 12.695 2.67813 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1826 12.695 2.67813 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 948 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.3388 12.695 2.67813 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8033 12.695 2.67813 0.31955 protocols.relax.FastRelax: CMD: min -74.8617 12.6961 2.67796 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.8617 12.6961 2.67796 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6941 12.6961 2.67796 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 942 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.0524 12.6961 2.67796 0.55 protocols.relax.FastRelax: CMD: min -78.8144 13.4926 4.91539 0.55 protocols.relax.FastRelax: MRP: 1 -78.8144 -78.8144 13.4926 4.91539 protocols.relax.FastRelax: CMD: accept_to_best -78.8144 13.4926 4.91539 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.8144 13.4926 4.91539 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -78.8144 13.4926 4.91539 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.001 13.4926 4.91539 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 971 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.716 13.4926 4.91539 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.443 13.4926 4.91539 0.02805 protocols.relax.FastRelax: CMD: min -101.566 13.4982 4.91858 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.566 13.4982 4.91858 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.2126 13.4982 4.91858 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 940 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.2126 13.4982 4.91858 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.8373 13.4982 4.91858 0.154 protocols.relax.FastRelax: CMD: min -95.8922 13.4957 4.91654 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.8922 13.4957 4.91654 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -88.9267 13.4957 4.91654 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 933 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.9739 13.4957 4.91654 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -88.4363 13.4957 4.91654 0.31955 protocols.relax.FastRelax: CMD: min -88.471 13.4949 4.91666 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.471 13.4949 4.91666 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2584 13.4949 4.91666 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 928 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.7138 13.4949 4.91666 0.55 protocols.relax.FastRelax: CMD: min -81.5489 13.5105 5.05723 0.55 protocols.relax.FastRelax: MRP: 2 -81.5489 -81.5489 13.5105 5.05723 protocols.relax.FastRelax: CMD: accept_to_best -81.5489 13.5105 5.05723 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.5489 13.5105 5.05723 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.5489 13.5105 5.05723 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.398 13.5105 5.05723 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 968 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.841 13.5105 5.05723 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.559 13.5105 5.05723 0.02805 protocols.relax.FastRelax: CMD: min -103.679 13.5162 5.06092 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.679 13.5162 5.06092 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.1486 13.5162 5.06092 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 941 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.1486 13.5162 5.06092 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -97.761 13.5162 5.06092 0.154 protocols.relax.FastRelax: CMD: min -97.8072 13.514 5.05909 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -97.8072 13.514 5.05909 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.6155 13.514 5.05909 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 932 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.6155 13.514 5.05909 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.0484 13.514 5.05909 0.31955 protocols.relax.FastRelax: CMD: min -90.0721 13.5124 5.05795 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.0721 13.5124 5.05795 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.3038 13.5124 5.05795 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 928 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.4192 13.5124 5.05795 0.55 protocols.relax.FastRelax: CMD: min -81.6861 13.5516 5.25149 0.55 protocols.relax.FastRelax: MRP: 3 -81.6861 -81.6861 13.5516 5.25149 protocols.relax.FastRelax: CMD: accept_to_best -81.6861 13.5516 5.25149 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.6861 13.5516 5.25149 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.6861 13.5516 5.25149 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.499 13.5516 5.25149 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.702 13.5516 5.25149 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.413 13.5516 5.25149 0.02805 protocols.relax.FastRelax: CMD: min -103.742 13.5565 5.25321 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.742 13.5565 5.25321 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -97.9997 13.5565 5.25321 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 943 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.5191 13.5565 5.25321 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.1275 13.5565 5.25321 0.154 protocols.relax.FastRelax: CMD: min -98.1559 13.5561 5.25506 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.1559 13.5561 5.25506 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8927 13.5561 5.25506 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 937 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.8928 13.5561 5.25506 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.3201 13.5561 5.25506 0.31955 protocols.relax.FastRelax: CMD: min -90.3359 13.5551 5.25451 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.3359 13.5551 5.25451 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.4564 13.5551 5.25451 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 932 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.9194 13.5551 5.25451 0.55 protocols.relax.FastRelax: CMD: min -81.6265 13.5701 5.30398 0.55 protocols.relax.FastRelax: MRP: 4 -81.6265 -81.6861 13.5516 5.25149 protocols.relax.FastRelax: CMD: accept_to_best -81.6265 13.5701 5.30398 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.6265 13.5701 5.30398 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_46.pdb protocols.relax.FastRelax: CMD: repeat 22141.1 16.3541 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22141.1 16.3541 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3632.98 16.3541 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1067 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.25866 16.3541 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 5.11367 16.3541 0 0.02805 protocols.relax.FastRelax: CMD: min -72.843 14.4285 7.21469 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.843 14.4285 7.21469 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -37.2321 14.4285 7.21469 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1058 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.1554 14.4285 7.21469 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1655 14.4285 7.21469 0.154 protocols.relax.FastRelax: CMD: min -67.7499 14.6852 6.30811 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.7499 14.6852 6.30811 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.4595 14.6852 6.30811 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1051 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0926 14.6852 6.30811 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.0559 14.6852 6.30811 0.31955 protocols.relax.FastRelax: CMD: min -57.0152 14.6226 6.44255 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.0152 14.6226 6.44255 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6754 14.6226 6.44255 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1052 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.8202 14.6226 6.44255 0.55 protocols.relax.FastRelax: CMD: min -74.8815 15.5051 7.83615 0.55 protocols.relax.FastRelax: MRP: 0 -74.8815 -74.8815 15.5051 7.83615 protocols.relax.FastRelax: CMD: accept_to_best -74.8815 15.5051 7.83615 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.8815 15.5051 7.83615 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.8815 15.5051 7.83615 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.165 15.5051 7.83615 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1049 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.013 15.5051 7.83615 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.97 15.5051 7.83615 0.02805 protocols.relax.FastRelax: CMD: min -110.381 15.6173 7.71539 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.381 15.6173 7.71539 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.3282 15.6173 7.71539 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1022 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.8408 15.6173 7.71539 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.9873 15.6173 7.71539 0.154 protocols.relax.FastRelax: CMD: min -100.342 15.544 7.73897 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.342 15.544 7.73897 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.7501 15.544 7.73897 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1017 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.7501 15.544 7.73897 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -86.7573 15.544 7.73897 0.31955 protocols.relax.FastRelax: CMD: min -87.3204 15.6024 7.71928 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.3204 15.6024 7.71928 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.8627 15.6024 7.71928 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1011 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.2441 15.6024 7.71928 0.55 protocols.relax.FastRelax: CMD: min -81.1638 15.2416 8.1996 0.55 protocols.relax.FastRelax: MRP: 1 -81.1638 -81.1638 15.2416 8.1996 protocols.relax.FastRelax: CMD: accept_to_best -81.1638 15.2416 8.1996 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.1638 15.2416 8.1996 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.1638 15.2416 8.1996 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -106.282 15.2416 8.1996 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1063 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.013 15.2416 8.1996 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -109.178 15.2416 8.1996 0.02805 protocols.relax.FastRelax: CMD: min -109.875 15.245 8.19049 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.875 15.245 8.19049 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2296 15.245 8.19049 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1031 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.9574 15.245 8.19049 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.4881 15.245 8.19049 0.154 protocols.relax.FastRelax: CMD: min -98.8548 15.2504 8.1958 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.8548 15.2504 8.1958 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.5012 15.2504 8.1958 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1025 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.7332 15.2504 8.1958 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.102 15.2504 8.1958 0.31955 protocols.relax.FastRelax: CMD: min -90.3557 15.2371 8.20685 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.3557 15.2371 8.20685 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6242 15.2371 8.20685 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1023 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.5264 15.2371 8.20685 0.55 protocols.relax.FastRelax: CMD: min -80.1702 15.2269 8.15612 0.55 protocols.relax.FastRelax: MRP: 2 -80.1702 -81.1638 15.2416 8.1996 protocols.relax.FastRelax: CMD: accept_to_best -80.1702 15.2269 8.15612 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.1702 15.2269 8.15612 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.1702 15.2269 8.15612 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.317 15.2269 8.15612 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1061 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.516 15.2269 8.15612 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.67 15.2269 8.15612 0.02805 protocols.relax.FastRelax: CMD: min -108.297 15.2413 8.14467 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.297 15.2413 8.14467 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -92.444 15.2413 8.14467 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1030 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.4215 15.2413 8.14467 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.9789 15.2413 8.14467 0.154 protocols.relax.FastRelax: CMD: min -99.0442 15.2422 8.1412 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -99.0442 15.2422 8.1412 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.7323 15.2422 8.1412 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1150 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.9088 15.2422 8.1412 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.2791 15.2422 8.1412 0.31955 protocols.relax.FastRelax: CMD: min -90.4774 15.2299 8.15379 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.4774 15.2299 8.15379 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6712 15.2299 8.15379 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1022 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.6721 15.2299 8.15379 0.55 protocols.relax.FastRelax: CMD: min -80.2669 15.1909 8.21323 0.55 protocols.relax.FastRelax: MRP: 3 -80.2669 -81.1638 15.2416 8.1996 protocols.relax.FastRelax: CMD: accept_to_best -80.2669 15.1909 8.21323 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.2669 15.1909 8.21323 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.2669 15.1909 8.21323 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.462 15.1909 8.21323 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1065 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.795 15.1909 8.21323 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -108.117 15.1909 8.21323 0.02805 protocols.relax.FastRelax: CMD: min -108.727 15.1943 8.20459 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.727 15.1943 8.20459 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -95.783 15.1943 8.20459 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1031 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.8458 15.1943 8.20459 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.4012 15.1943 8.20459 0.154 protocols.relax.FastRelax: CMD: min -99.4605 15.1986 8.20574 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -99.4605 15.1986 8.20574 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -91.2453 15.1986 8.20574 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1025 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.4602 15.1986 8.20574 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8401 15.1986 8.20574 0.31955 protocols.relax.FastRelax: CMD: min -90.9427 15.1913 8.21249 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.9427 15.1913 8.21249 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.2152 15.1913 8.21249 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1022 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.2161 15.1913 8.21249 0.55 protocols.relax.FastRelax: CMD: min -80.2659 15.1926 8.21265 0.55 protocols.relax.FastRelax: MRP: 4 -80.2659 -81.1638 15.2416 8.1996 protocols.relax.FastRelax: CMD: accept_to_best -80.2659 15.1926 8.21265 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.2659 15.1926 8.21265 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_9.pdb protocols.relax.FastRelax: CMD: repeat 22804 15.821 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22804 15.821 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3383.09 15.821 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1031 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 26.3563 15.821 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 35.5752 15.821 0 0.02805 protocols.relax.FastRelax: CMD: min -70.5008 16.5226 2.54091 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -70.5008 16.5226 2.54091 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.3256 16.5226 2.54091 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1056 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.1624 16.5226 2.54091 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.773 16.5226 2.54091 0.154 protocols.relax.FastRelax: CMD: min -76.5679 16.701 3.18293 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.5679 16.701 3.18293 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5557 16.701 3.18293 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1063 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.9198 16.701 3.18293 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5554 16.701 3.18293 0.31955 protocols.relax.FastRelax: CMD: min -59.3513 16.6955 3.16582 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.3513 16.6955 3.16582 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5296 16.6955 3.16582 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 999 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.8195 16.6955 3.16582 0.55 protocols.relax.FastRelax: CMD: min -65.8534 16.7536 3.92037 0.55 protocols.relax.FastRelax: MRP: 0 -65.8534 -65.8534 16.7536 3.92037 protocols.relax.FastRelax: CMD: accept_to_best -65.8534 16.7536 3.92037 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.8534 16.7536 3.92037 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.8534 16.7536 3.92037 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.156 16.7536 3.92037 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1013 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.663 16.7536 3.92037 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.173 16.7536 3.92037 0.02805 protocols.relax.FastRelax: CMD: min -121.116 16.5857 3.6315 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.116 16.5857 3.6315 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -83.1353 16.5857 3.6315 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1036 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.8266 16.5857 3.6315 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.3796 16.5857 3.6315 0.154 protocols.relax.FastRelax: CMD: min -99.7563 16.6977 3.77384 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -99.7563 16.6977 3.77384 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.7105 16.6977 3.77384 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 975 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.7756 16.6977 3.77384 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.446 16.6977 3.77384 0.31955 protocols.relax.FastRelax: CMD: min -84.0404 16.7058 3.80052 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.0404 16.7058 3.80052 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.0122 16.7058 3.80052 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 956 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.0293 16.7058 3.80052 0.55 protocols.relax.FastRelax: CMD: min -74.9401 16.7848 3.92745 0.55 protocols.relax.FastRelax: MRP: 1 -74.9401 -74.9401 16.7848 3.92745 protocols.relax.FastRelax: CMD: accept_to_best -74.9401 16.7848 3.92745 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.9401 16.7848 3.92745 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9401 16.7848 3.92745 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.804 16.7848 3.92745 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1037 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.595 16.7848 3.92745 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.151 16.7848 3.92745 0.02805 protocols.relax.FastRelax: CMD: min -118.707 16.662 3.75763 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.707 16.662 3.75763 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -86.7851 16.662 3.75763 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1001 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.0154 16.662 3.75763 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9366 16.662 3.75763 0.154 protocols.relax.FastRelax: CMD: min -101.644 16.7333 3.85089 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.644 16.7333 3.85089 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.987 16.7333 3.85089 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 990 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.1449 16.7333 3.85089 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9396 16.7333 3.85089 0.31955 protocols.relax.FastRelax: CMD: min -87.3308 16.7418 3.88575 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.3308 16.7418 3.88575 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.5454 16.7418 3.88575 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 990 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.207 16.7418 3.88575 0.55 protocols.relax.FastRelax: CMD: min -75.1649 16.7963 3.94205 0.55 protocols.relax.FastRelax: MRP: 2 -75.1649 -75.1649 16.7963 3.94205 protocols.relax.FastRelax: CMD: accept_to_best -75.1649 16.7963 3.94205 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.1649 16.7963 3.94205 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.1649 16.7963 3.94205 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -104.045 16.7963 3.94205 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1037 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.953 16.7963 3.94205 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.514 16.7963 3.94205 0.02805 protocols.relax.FastRelax: CMD: min -109.445 16.8297 3.9397 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.445 16.8297 3.9397 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -92.8609 16.8297 3.9397 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.7401 16.8297 3.9397 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -92.6399 16.8297 3.9397 0.154 protocols.relax.FastRelax: CMD: min -100.274 16.7545 3.87069 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.274 16.7545 3.87069 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -86.7649 16.7545 3.87069 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1000 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.8855 16.7545 3.87069 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.8411 16.7545 3.87069 0.31955 protocols.relax.FastRelax: CMD: min -88.1814 16.788 3.92457 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.1814 16.788 3.92457 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.5612 16.788 3.92457 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 995 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.5614 16.788 3.92457 0.55 protocols.relax.FastRelax: CMD: min -81.5854 16.6532 3.9323 0.55 protocols.relax.FastRelax: MRP: 3 -81.5854 -81.5854 16.6532 3.9323 protocols.relax.FastRelax: CMD: accept_to_best -81.5854 16.6532 3.9323 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.5854 16.6532 3.9323 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.5854 16.6532 3.9323 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -110.555 16.6532 3.9323 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1009 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.74 16.6532 3.9323 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.29 16.6532 3.9323 0.02805 protocols.relax.FastRelax: CMD: min -115.153 16.685 3.94592 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.153 16.685 3.94592 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.2555 16.685 3.94592 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 976 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.067 16.685 3.94592 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.0342 16.685 3.94592 0.154 protocols.relax.FastRelax: CMD: min -106.198 16.6196 3.89217 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.198 16.6196 3.89217 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.1002 16.6196 3.89217 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 966 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.1206 16.6196 3.89217 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.0879 16.6196 3.89217 0.31955 protocols.relax.FastRelax: CMD: min -94.449 16.6434 3.91913 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.449 16.6434 3.91913 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6769 16.6434 3.91913 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 961 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.685 16.6434 3.91913 0.55 protocols.relax.FastRelax: CMD: min -81.899 16.6951 3.94611 0.55 protocols.relax.FastRelax: MRP: 4 -81.899 -81.899 16.6951 3.94611 protocols.relax.FastRelax: CMD: accept_to_best -81.899 16.6951 3.94611 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.899 16.6951 3.94611 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_2.pdb protocols.relax.FastRelax: CMD: repeat 24411.3 10.5883 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24411.3 10.5883 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3759.11 10.5883 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1258 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.87158 10.5883 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 14.429 10.5883 0 0.02805 protocols.relax.FastRelax: CMD: min -87.7472 11.5746 4.17977 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.7472 11.5746 4.17977 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 77.297 11.5746 4.17977 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1298 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.16844 11.5746 4.17977 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1.22541 11.5746 4.17977 0.154 protocols.relax.FastRelax: CMD: min -70.1608 11.3892 3.37257 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.1608 11.3892 3.37257 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.8211 11.3892 3.37257 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1117 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.9174 11.3892 3.37257 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.0172 11.3892 3.37257 0.31955 protocols.relax.FastRelax: CMD: min -78.4884 11.3777 3.58293 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4884 11.3777 3.58293 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0208 11.3777 3.58293 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1154 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3615 11.3777 3.58293 0.55 protocols.relax.FastRelax: CMD: min -101.131 11.9592 3.75927 0.55 protocols.relax.FastRelax: MRP: 0 -101.131 -101.131 11.9592 3.75927 protocols.relax.FastRelax: CMD: accept_to_best -101.131 11.9592 3.75927 0.55 protocols.relax.FastRelax: CMD: endrepeat -101.131 11.9592 3.75927 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -101.131 11.9592 3.75927 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -133.109 11.9592 3.75927 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1163 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -139.102 11.9592 3.75927 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -137.667 11.9592 3.75927 0.02805 protocols.relax.FastRelax: CMD: min -157.92 12.0822 3.91979 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -157.92 12.0822 3.91979 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -108.5 12.0822 3.91979 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1181 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.295 12.0822 3.91979 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -111.38 12.0822 3.91979 0.154 protocols.relax.FastRelax: CMD: min -134.735 11.9652 3.83939 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -134.735 11.9652 3.83939 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -116.491 11.9652 3.83939 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1102 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.632 11.9652 3.83939 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -115.223 11.9652 3.83939 0.31955 protocols.relax.FastRelax: CMD: min -118.854 11.9564 3.83813 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -118.854 11.9564 3.83813 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -98.6031 11.9564 3.83813 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1096 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.6061 11.9564 3.83813 0.55 protocols.relax.FastRelax: CMD: min -112.29 11.8673 3.80779 0.55 protocols.relax.FastRelax: MRP: 1 -112.29 -112.29 11.8673 3.80779 protocols.relax.FastRelax: CMD: accept_to_best -112.29 11.8673 3.80779 0.55 protocols.relax.FastRelax: CMD: endrepeat -112.29 11.8673 3.80779 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -112.29 11.8673 3.80779 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -144.053 11.8673 3.80779 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1110 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -146.546 11.8673 3.80779 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -146.009 11.8673 3.80779 0.02805 protocols.relax.FastRelax: CMD: min -160.816 12.0473 3.90231 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -160.816 12.0473 3.90231 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -122.018 12.0473 3.90231 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1194 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -124.38 12.0473 3.90231 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -121.986 12.0473 3.90231 0.154 protocols.relax.FastRelax: CMD: min -137.059 11.9619 3.73733 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -137.059 11.9619 3.73733 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -119.158 11.9619 3.73733 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1083 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -119.332 11.9619 3.73733 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -117.908 11.9619 3.73733 0.31955 protocols.relax.FastRelax: CMD: min -122.61 11.7935 3.77753 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -122.61 11.7935 3.77753 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -103.9 11.7935 3.77753 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1062 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.066 11.7935 3.77753 0.55 protocols.relax.FastRelax: CMD: min -111.577 11.8976 3.98485 0.55 protocols.relax.FastRelax: MRP: 2 -111.577 -112.29 11.8673 3.80779 protocols.relax.FastRelax: CMD: accept_to_best -111.577 11.8976 3.98485 0.55 protocols.relax.FastRelax: CMD: endrepeat -111.577 11.8976 3.98485 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -111.577 11.8976 3.98485 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -144.124 11.8976 3.98485 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1117 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -148.107 11.8976 3.98485 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -147.382 11.8976 3.98485 0.02805 protocols.relax.FastRelax: CMD: min -162.609 11.9904 3.85147 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -162.609 11.9904 3.85147 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -116.365 11.9904 3.85147 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1206 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.688 11.9904 3.85147 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -123.333 11.9904 3.85147 0.154 protocols.relax.FastRelax: CMD: min -137.85 11.8115 3.78619 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -137.85 11.8115 3.78619 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -120.075 11.8115 3.78619 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1095 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.441 11.8115 3.78619 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -119.022 11.8115 3.78619 0.31955 protocols.relax.FastRelax: CMD: min -123.692 11.9185 4.03913 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -123.692 11.9185 4.03913 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -104.196 11.9185 4.03913 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1070 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.238 11.9185 4.03913 0.55 protocols.relax.FastRelax: CMD: min -112.359 11.8877 4.05378 0.55 protocols.relax.FastRelax: MRP: 3 -112.359 -112.359 11.8877 4.05378 protocols.relax.FastRelax: CMD: accept_to_best -112.359 11.8877 4.05378 0.55 protocols.relax.FastRelax: CMD: endrepeat -112.359 11.8877 4.05378 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -112.359 11.8877 4.05378 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -145.596 11.8877 4.05378 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1128 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -148.026 11.8877 4.05378 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -147.269 11.8877 4.05378 0.02805 protocols.relax.FastRelax: CMD: min -164.799 11.9478 4.09503 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -164.799 11.9478 4.09503 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -115.229 11.9478 4.09503 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1275 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -126.891 11.9478 4.09503 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -124.379 11.9478 4.09503 0.154 protocols.relax.FastRelax: CMD: min -142.123 11.8977 4.07649 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -142.123 11.8977 4.07649 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -123.279 11.8977 4.07649 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1139 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.548 11.8977 4.07649 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -122.051 11.8977 4.07649 0.31955 protocols.relax.FastRelax: CMD: min -125.634 11.8588 4.13577 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -125.634 11.8588 4.13577 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -105.182 11.8588 4.13577 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1074 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.198 11.8588 4.13577 0.55 protocols.relax.FastRelax: CMD: min -114.401 12.0606 4.26405 0.55 protocols.relax.FastRelax: MRP: 4 -114.401 -114.401 12.0606 4.26405 protocols.relax.FastRelax: CMD: accept_to_best -114.401 12.0606 4.26405 0.55 protocols.relax.FastRelax: CMD: endrepeat -114.401 12.0606 4.26405 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_18.pdb protocols.relax.FastRelax: CMD: repeat 22671.7 11.961 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22671.7 11.961 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3405.81 11.961 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1007 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 63.7051 11.961 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 85.1856 11.961 0 0.02805 protocols.relax.FastRelax: CMD: min -76.7948 10.0032 7.00223 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.7948 10.0032 7.00223 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.0356 10.0032 7.00223 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 925 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.2823 10.0032 7.00223 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.3772 10.0032 7.00223 0.154 protocols.relax.FastRelax: CMD: min -57.8846 10.1158 6.93183 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8846 10.1158 6.93183 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3715 10.1158 6.93183 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 960 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.4204 10.1158 6.93183 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1205 10.1158 6.93183 0.31955 protocols.relax.FastRelax: CMD: min -40.1985 10.1182 6.93453 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.1985 10.1182 6.93453 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.5441 10.1182 6.93453 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 937 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.1266 10.1182 6.93453 0.55 protocols.relax.FastRelax: CMD: min -49.6437 9.15782 8.4189 0.55 protocols.relax.FastRelax: MRP: 0 -49.6437 -49.6437 9.15782 8.4189 protocols.relax.FastRelax: CMD: accept_to_best -49.6437 9.15782 8.4189 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.6437 9.15782 8.4189 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.6437 9.15782 8.4189 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6872 9.15782 8.4189 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 963 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.227 9.15782 8.4189 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.2727 9.15782 8.4189 0.02805 protocols.relax.FastRelax: CMD: min -95.5083 8.90599 9.25021 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.5083 8.90599 9.25021 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8855 8.90599 9.25021 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 917 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0759 8.90599 9.25021 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.1595 8.90599 9.25021 0.154 protocols.relax.FastRelax: CMD: min -80.094 8.92392 8.70813 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.094 8.92392 8.70813 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.3745 8.92392 8.70813 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 913 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.5769 8.92392 8.70813 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.5083 8.92392 8.70813 0.31955 protocols.relax.FastRelax: CMD: min -65.9038 8.92774 8.70466 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9038 8.92774 8.70466 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.1135 8.92774 8.70466 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 909 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.1157 8.92774 8.70466 0.55 protocols.relax.FastRelax: CMD: min -60.5627 8.89659 8.52687 0.55 protocols.relax.FastRelax: MRP: 1 -60.5627 -60.5627 8.89659 8.52687 protocols.relax.FastRelax: CMD: accept_to_best -60.5627 8.89659 8.52687 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.5627 8.89659 8.52687 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5627 8.89659 8.52687 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9617 8.89659 8.52687 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 971 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.9047 8.89659 8.52687 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3086 8.89659 8.52687 0.02805 protocols.relax.FastRelax: CMD: min -102.793 8.55125 8.50584 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.793 8.55125 8.50584 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9584 8.55125 8.50584 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 919 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.9695 8.55125 8.50584 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7905 8.55125 8.50584 0.154 protocols.relax.FastRelax: CMD: min -84.3415 8.71272 8.39678 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.3415 8.71272 8.39678 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.5979 8.71272 8.39678 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 911 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.6063 8.71272 8.39678 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.4457 8.71272 8.39678 0.31955 protocols.relax.FastRelax: CMD: min -68.8608 8.71679 8.40118 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.8608 8.71679 8.40118 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.436 8.71679 8.40118 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 904 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4403 8.71679 8.40118 0.55 protocols.relax.FastRelax: CMD: min -59.4207 8.92399 8.35271 0.55 protocols.relax.FastRelax: MRP: 2 -59.4207 -60.5627 8.89659 8.52687 protocols.relax.FastRelax: CMD: accept_to_best -59.4207 8.92399 8.35271 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.4207 8.92399 8.35271 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.4207 8.92399 8.35271 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.8784 8.92399 8.35271 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 964 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.8565 8.92399 8.35271 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.191 8.92399 8.35271 0.02805 protocols.relax.FastRelax: CMD: min -94.3064 8.91434 8.40836 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.3064 8.91434 8.40836 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7893 8.91434 8.40836 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 919 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.3727 8.91434 8.40836 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7716 8.91434 8.40836 0.154 protocols.relax.FastRelax: CMD: min -86.277 8.82292 8.46804 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.277 8.82292 8.46804 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.8977 8.82292 8.46804 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 913 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.9079 8.82292 8.46804 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8541 8.82292 8.46804 0.31955 protocols.relax.FastRelax: CMD: min -72.242 8.82467 8.47739 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.242 8.82467 8.47739 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.7868 8.82467 8.47739 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 905 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.8603 8.82467 8.47739 0.55 protocols.relax.FastRelax: CMD: min -65.4148 9.1604 8.68575 0.55 protocols.relax.FastRelax: MRP: 3 -65.4148 -65.4148 9.1604 8.68575 protocols.relax.FastRelax: CMD: accept_to_best -65.4148 9.1604 8.68575 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.4148 9.1604 8.68575 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4148 9.1604 8.68575 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.8433 9.1604 8.68575 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 947 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.9153 9.1604 8.68575 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.5662 9.1604 8.68575 0.02805 protocols.relax.FastRelax: CMD: min -98.8377 9.13706 8.68846 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.8377 9.13706 8.68846 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9854 9.13706 8.68846 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 958 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.9861 9.13706 8.68846 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7348 9.13706 8.68846 0.154 protocols.relax.FastRelax: CMD: min -91.481 9.06719 8.59601 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -91.481 9.06719 8.59601 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.9118 9.06719 8.59601 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 950 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.1907 9.06719 8.59601 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.1975 9.06719 8.59601 0.31955 protocols.relax.FastRelax: CMD: min -77.2989 9.06844 8.59813 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.2989 9.06844 8.59813 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.5265 9.06844 8.59813 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 939 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.5348 9.06844 8.59813 0.55 protocols.relax.FastRelax: CMD: min -69.0988 9.20772 8.48766 0.55 protocols.relax.FastRelax: MRP: 4 -69.0988 -69.0988 9.20772 8.48766 protocols.relax.FastRelax: CMD: accept_to_best -69.0988 9.20772 8.48766 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.0988 9.20772 8.48766 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_0.pdb protocols.relax.FastRelax: CMD: repeat 21630.8 16.4777 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21630.8 16.4777 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3337.97 16.4777 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1212 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 44.6045 16.4777 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 53.9342 16.4777 0 0.02805 protocols.relax.FastRelax: CMD: min -73.6024 16.0629 1.75647 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6024 16.0629 1.75647 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.7616 16.0629 1.75647 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1209 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.4038 16.0629 1.75647 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.3576 16.0629 1.75647 0.154 protocols.relax.FastRelax: CMD: min -62.1085 16.1561 2.27448 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.1085 16.1561 2.27448 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.1149 16.1561 2.27448 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1239 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.746 16.1561 2.27448 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.5155 16.1561 2.27448 0.31955 protocols.relax.FastRelax: CMD: min -48.5055 16.1668 2.28322 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.5055 16.1668 2.28322 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.362 16.1668 2.28322 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1220 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.7501 16.1668 2.28322 0.55 protocols.relax.FastRelax: CMD: min -60.51 15.7707 3.12838 0.55 protocols.relax.FastRelax: MRP: 0 -60.51 -60.51 15.7707 3.12838 protocols.relax.FastRelax: CMD: accept_to_best -60.51 15.7707 3.12838 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.51 15.7707 3.12838 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.51 15.7707 3.12838 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.5031 15.7707 3.12838 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1418 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.9249 15.7707 3.12838 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.2752 15.7707 3.12838 0.02805 protocols.relax.FastRelax: CMD: min -116.249 15.6485 3.12224 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.249 15.6485 3.12224 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8851 15.6485 3.12224 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1511 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.1272 15.6485 3.12224 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7529 15.6485 3.12224 0.154 protocols.relax.FastRelax: CMD: min -92.6244 15.7407 3.21422 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.6244 15.7407 3.21422 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6081 15.7407 3.21422 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1278 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.6117 15.7407 3.21422 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1912 15.7407 3.21422 0.31955 protocols.relax.FastRelax: CMD: min -77.4883 15.7428 3.12984 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.4883 15.7428 3.12984 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6325 15.7428 3.12984 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1264 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.7899 15.7428 3.12984 0.55 protocols.relax.FastRelax: CMD: min -71.8913 15.7613 3.24096 0.55 protocols.relax.FastRelax: MRP: 1 -71.8913 -71.8913 15.7613 3.24096 protocols.relax.FastRelax: CMD: accept_to_best -71.8913 15.7613 3.24096 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.8913 15.7613 3.24096 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.8913 15.7613 3.24096 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.019 15.7613 3.24096 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1420 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.679 15.7613 3.24096 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.226 15.7613 3.24096 0.02805 protocols.relax.FastRelax: CMD: min -119.503 15.6577 3.23083 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.503 15.6577 3.23083 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9958 15.6577 3.23083 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1362 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.2274 15.6577 3.23083 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.2298 15.6577 3.23083 0.154 protocols.relax.FastRelax: CMD: min -95.5885 15.748 3.16533 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.5885 15.748 3.16533 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.904 15.748 3.16533 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1274 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.6583 15.748 3.16533 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3661 15.748 3.16533 0.31955 protocols.relax.FastRelax: CMD: min -81.9386 15.7932 3.18001 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.9386 15.7932 3.18001 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9128 15.7932 3.18001 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1272 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.9205 15.7932 3.18001 0.55 protocols.relax.FastRelax: CMD: min -71.6115 15.8892 3.55186 0.55 protocols.relax.FastRelax: MRP: 2 -71.6115 -71.8913 15.7613 3.24096 protocols.relax.FastRelax: CMD: accept_to_best -71.6115 15.8892 3.55186 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.6115 15.8892 3.55186 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.6115 15.8892 3.55186 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.764 15.8892 3.55186 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1290 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.613 15.8892 3.55186 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.816 15.8892 3.55186 0.02805 protocols.relax.FastRelax: CMD: min -121.228 15.8376 3.64897 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.228 15.8376 3.64897 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8687 15.8376 3.64897 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1343 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.057 15.8376 3.64897 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8811 15.8376 3.64897 0.154 protocols.relax.FastRelax: CMD: min -98.0616 15.8839 3.50591 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.0616 15.8839 3.50591 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5186 15.8839 3.50591 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1364 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.5645 15.8839 3.50591 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1562 15.8839 3.50591 0.31955 protocols.relax.FastRelax: CMD: min -83.3236 15.9048 3.5263 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.3236 15.9048 3.5263 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5294 15.9048 3.5263 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1280 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.8491 15.9048 3.5263 0.55 protocols.relax.FastRelax: CMD: min -73.9517 15.8466 3.72761 0.55 protocols.relax.FastRelax: MRP: 3 -73.9517 -73.9517 15.8466 3.72761 protocols.relax.FastRelax: CMD: accept_to_best -73.9517 15.8466 3.72761 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.9517 15.8466 3.72761 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.9517 15.8466 3.72761 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.981 15.8466 3.72761 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1298 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.272 15.8466 3.72761 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.806 15.8466 3.72761 0.02805 protocols.relax.FastRelax: CMD: min -122.539 15.781 3.71021 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.539 15.781 3.71021 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1437 15.781 3.71021 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1349 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8727 15.781 3.71021 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2757 15.781 3.71021 0.154 protocols.relax.FastRelax: CMD: min -94.8324 15.8472 3.67576 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.8324 15.8472 3.67576 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0595 15.8472 3.67576 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1296 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.9133 15.8472 3.67576 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6218 15.8472 3.67576 0.31955 protocols.relax.FastRelax: CMD: min -84.1463 15.8655 3.71349 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.1463 15.8655 3.71349 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.3901 15.8655 3.71349 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1218 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.4056 15.8655 3.71349 0.55 protocols.relax.FastRelax: CMD: min -73.2459 15.8903 3.88177 0.55 protocols.relax.FastRelax: MRP: 4 -73.2459 -73.9517 15.8466 3.72761 protocols.relax.FastRelax: CMD: accept_to_best -73.2459 15.8903 3.88177 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.2459 15.8903 3.88177 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_31.pdb protocols.relax.FastRelax: CMD: repeat 21482.1 14.4914 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21482.1 14.4914 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3380.11 14.4914 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1168 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.10689 14.4914 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 6.41615 14.4914 0 0.02805 protocols.relax.FastRelax: CMD: min -56.2067 15.6443 3.36589 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -56.2067 15.6443 3.36589 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 222.178 15.6443 3.36589 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1256 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 93.9648 15.6443 3.36589 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 105.58 15.6443 3.36589 0.154 protocols.relax.FastRelax: CMD: min -87.7435 15.524 2.81516 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.7435 15.524 2.81516 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.9354 15.524 2.81516 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1339 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.1711 15.524 2.81516 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7177 15.524 2.81516 0.31955 protocols.relax.FastRelax: CMD: min -76.2308 15.4925 2.80299 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.2308 15.4925 2.80299 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3573 15.4925 2.80299 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1358 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.364 15.4925 2.80299 0.55 protocols.relax.FastRelax: CMD: min -79.4404 15.5108 2.8782 0.55 protocols.relax.FastRelax: MRP: 0 -79.4404 -79.4404 15.5108 2.8782 protocols.relax.FastRelax: CMD: accept_to_best -79.4404 15.5108 2.8782 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.4404 15.5108 2.8782 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.4404 15.5108 2.8782 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -108.363 15.5108 2.8782 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1363 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.138 15.5108 2.8782 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.483 15.5108 2.8782 0.02805 protocols.relax.FastRelax: CMD: min -125.989 15.5558 2.9736 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.989 15.5558 2.9736 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -87.7887 15.5558 2.9736 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1344 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.1268 15.5558 2.9736 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9592 15.5558 2.9736 0.154 protocols.relax.FastRelax: CMD: min -107.712 15.5805 2.91857 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -107.712 15.5805 2.91857 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4555 15.5805 2.91857 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1324 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.4564 15.5805 2.91857 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.1578 15.5805 2.91857 0.31955 protocols.relax.FastRelax: CMD: min -94.2671 15.5588 2.93497 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.2671 15.5588 2.93497 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.0036 15.5588 2.93497 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1310 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.1461 15.5588 2.93497 0.55 protocols.relax.FastRelax: CMD: min -89.7264 15.8227 2.97622 0.55 protocols.relax.FastRelax: MRP: 1 -89.7264 -89.7264 15.8227 2.97622 protocols.relax.FastRelax: CMD: accept_to_best -89.7264 15.8227 2.97622 0.55 protocols.relax.FastRelax: CMD: endrepeat -89.7264 15.8227 2.97622 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -89.7264 15.8227 2.97622 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -118.352 15.8227 2.97622 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1397 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.023 15.8227 2.97622 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -120.527 15.8227 2.97622 0.02805 protocols.relax.FastRelax: CMD: min -143.575 15.9153 3.28156 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -143.575 15.9153 3.28156 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -91.635 15.9153 3.28156 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1474 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.9429 15.9153 3.28156 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -89.5052 15.9153 3.28156 0.154 protocols.relax.FastRelax: CMD: min -117.893 15.9092 3.16748 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.893 15.9092 3.16748 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2107 15.9092 3.16748 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1466 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.4428 15.9092 3.16748 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -96.8917 15.9092 3.16748 0.31955 protocols.relax.FastRelax: CMD: min -101.264 15.8872 3.08591 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.264 15.8872 3.08591 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9138 15.8872 3.08591 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1388 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.0705 15.8872 3.08591 0.55 protocols.relax.FastRelax: CMD: min -92.4496 15.984 3.32243 0.55 protocols.relax.FastRelax: MRP: 2 -92.4496 -92.4496 15.984 3.32243 protocols.relax.FastRelax: CMD: accept_to_best -92.4496 15.984 3.32243 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.4496 15.984 3.32243 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4496 15.984 3.32243 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -122.848 15.984 3.32243 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1417 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.457 15.984 3.32243 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.859 15.984 3.32243 0.02805 protocols.relax.FastRelax: CMD: min -147.546 15.9948 3.66178 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -147.546 15.9948 3.66178 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.9009 15.9948 3.66178 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1551 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.047 15.9948 3.66178 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.9398 15.9948 3.66178 0.154 protocols.relax.FastRelax: CMD: min -123.667 15.9797 3.4915 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -123.667 15.9797 3.4915 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -103.724 15.9797 3.4915 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1357 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.48 15.9797 3.4915 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -101.92 15.9797 3.4915 0.31955 protocols.relax.FastRelax: CMD: min -106.952 15.9524 3.39918 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -106.952 15.9524 3.39918 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4625 15.9524 3.39918 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1335 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.7644 15.9524 3.39918 0.55 protocols.relax.FastRelax: CMD: min -96.1819 15.8707 3.19046 0.55 protocols.relax.FastRelax: MRP: 3 -96.1819 -96.1819 15.8707 3.19046 protocols.relax.FastRelax: CMD: accept_to_best -96.1819 15.8707 3.19046 0.55 protocols.relax.FastRelax: CMD: endrepeat -96.1819 15.8707 3.19046 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -96.1819 15.8707 3.19046 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -126.568 15.8707 3.19046 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1328 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.246 15.8707 3.19046 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -127.664 15.8707 3.19046 0.02805 protocols.relax.FastRelax: CMD: min -134.08 15.9782 3.36649 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -134.08 15.9782 3.36649 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -108.112 15.9782 3.36649 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1412 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.562 15.9782 3.36649 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -112.09 15.9782 3.36649 0.154 protocols.relax.FastRelax: CMD: min -123.81 15.8822 3.27181 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -123.81 15.8822 3.27181 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -108.502 15.8822 3.27181 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1392 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.452 15.8822 3.27181 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -107.255 15.8822 3.27181 0.31955 protocols.relax.FastRelax: CMD: min -109.8 15.8749 3.25034 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -109.8 15.8749 3.25034 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1154 15.8749 3.25034 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1374 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.5442 15.8749 3.25034 0.55 protocols.relax.FastRelax: CMD: min -96.1845 15.8844 3.23919 0.55 protocols.relax.FastRelax: MRP: 4 -96.1845 -96.1845 15.8844 3.23919 protocols.relax.FastRelax: CMD: accept_to_best -96.1845 15.8844 3.23919 0.55 protocols.relax.FastRelax: CMD: endrepeat -96.1845 15.8844 3.23919 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_20.pdb protocols.relax.FastRelax: CMD: repeat 21264.7 16.4754 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21264.7 16.4754 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3442.54 16.4754 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1067 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.8385 16.4754 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -8.261 16.4754 0 0.02805 protocols.relax.FastRelax: CMD: min 819.282 12.6851 8.56652 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 819.282 12.6851 8.56652 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 4780.48 12.6851 8.56652 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1175 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2848.47 12.6851 8.56652 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 3015.22 12.6851 8.56652 0.154 protocols.relax.FastRelax: CMD: min 1092.49 12.281 9.37823 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 1092.49 12.281 9.37823 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 2249.29 12.281 9.37823 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 947 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 249.725 12.281 9.37823 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 262.627 12.281 9.37823 0.31955 protocols.relax.FastRelax: CMD: min -75.5567 12.3797 10.1369 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.5567 12.3797 10.1369 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0132 12.3797 10.1369 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 967 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.3377 12.3797 10.1369 0.55 protocols.relax.FastRelax: CMD: min -74.7879 12.7634 10.6067 0.55 protocols.relax.FastRelax: MRP: 0 -74.7879 -74.7879 12.7634 10.6067 protocols.relax.FastRelax: CMD: accept_to_best -74.7879 12.7634 10.6067 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.7879 12.7634 10.6067 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7879 12.7634 10.6067 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.307 12.7634 10.6067 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1031 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.686 12.7634 10.6067 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.92 12.7634 10.6067 0.02805 protocols.relax.FastRelax: CMD: min -121.083 12.8109 10.3661 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.083 12.8109 10.3661 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.803 12.8109 10.3661 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 985 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.2724 12.8109 10.3661 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7066 12.8109 10.3661 0.154 protocols.relax.FastRelax: CMD: min -100.67 12.8245 10.5288 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.67 12.8245 10.5288 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4782 12.8245 10.5288 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 979 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.5594 12.8245 10.5288 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.3618 12.8245 10.5288 0.31955 protocols.relax.FastRelax: CMD: min -84.9483 12.817 10.5597 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.9483 12.817 10.5597 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.2821 12.817 10.5597 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 966 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.3189 12.817 10.5597 0.55 protocols.relax.FastRelax: CMD: min -74.9198 12.7672 10.5988 0.55 protocols.relax.FastRelax: MRP: 1 -74.9198 -74.9198 12.7672 10.5988 protocols.relax.FastRelax: CMD: accept_to_best -74.9198 12.7672 10.5988 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.9198 12.7672 10.5988 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9198 12.7672 10.5988 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.451 12.7672 10.5988 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1030 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.255 12.7672 10.5988 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.696 12.7672 10.5988 0.02805 protocols.relax.FastRelax: CMD: min -111.919 12.784 10.4651 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.919 12.784 10.4651 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2342 12.784 10.4651 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 993 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.4074 12.784 10.4651 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.193 12.784 10.4651 0.154 protocols.relax.FastRelax: CMD: min -98.8999 12.7239 10.4787 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.8999 12.7239 10.4787 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.3906 12.7239 10.4787 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 972 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.6949 12.7239 10.4787 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.5768 12.7239 10.4787 0.31955 protocols.relax.FastRelax: CMD: min -86.3968 12.7773 10.5884 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.3968 12.7773 10.5884 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9099 12.7773 10.5884 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 968 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.9334 12.7773 10.5884 0.55 protocols.relax.FastRelax: CMD: min -76.8778 12.8494 10.9728 0.55 protocols.relax.FastRelax: MRP: 2 -76.8778 -76.8778 12.8494 10.9728 protocols.relax.FastRelax: CMD: accept_to_best -76.8778 12.8494 10.9728 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.8778 12.8494 10.9728 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.8778 12.8494 10.9728 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.327 12.8494 10.9728 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1028 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.963 12.8494 10.9728 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.612 12.8494 10.9728 0.02805 protocols.relax.FastRelax: CMD: min -109.485 12.9448 10.9242 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.485 12.9448 10.9242 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8745 12.9448 10.9242 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 974 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6329 12.9448 10.9242 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2253 12.9448 10.9242 0.154 protocols.relax.FastRelax: CMD: min -96.185 12.8786 10.9766 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.185 12.8786 10.9766 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.8286 12.8786 10.9766 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 975 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.4003 12.8786 10.9766 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.4922 12.8786 10.9766 0.31955 protocols.relax.FastRelax: CMD: min -88.8921 12.8463 10.9021 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.8921 12.8463 10.9021 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5468 12.8463 10.9021 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 964 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.547 12.8463 10.9021 0.55 protocols.relax.FastRelax: CMD: min -77.9892 12.994 11.1801 0.55 protocols.relax.FastRelax: MRP: 3 -77.9892 -77.9892 12.994 11.1801 protocols.relax.FastRelax: CMD: accept_to_best -77.9892 12.994 11.1801 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.9892 12.994 11.1801 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9892 12.994 11.1801 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -107.064 12.994 11.1801 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1026 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.863 12.994 11.1801 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.428 12.994 11.1801 0.02805 protocols.relax.FastRelax: CMD: min -121.355 12.7472 10.6315 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.355 12.7472 10.6315 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -87.309 12.7472 10.6315 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 981 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.7772 12.7472 10.6315 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -87.5822 12.7472 10.6315 0.154 protocols.relax.FastRelax: CMD: min -104.642 12.8334 10.9186 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.642 12.8334 10.9186 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.1924 12.8334 10.9186 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 977 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.2506 12.8334 10.9186 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.1133 12.8334 10.9186 0.31955 protocols.relax.FastRelax: CMD: min -91.0016 12.8508 10.9447 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.0016 12.8508 10.9447 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5661 12.8508 10.9447 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 964 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5762 12.8508 10.9447 0.55 protocols.relax.FastRelax: CMD: min -78.1056 12.9966 11.1786 0.55 protocols.relax.FastRelax: MRP: 4 -78.1056 -78.1056 12.9966 11.1786 protocols.relax.FastRelax: CMD: accept_to_best -78.1056 12.9966 11.1786 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.1056 12.9966 11.1786 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_32.pdb protocols.relax.FastRelax: CMD: repeat 29139.1 10.3099 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 29139.1 10.3099 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3543.21 10.3099 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1345 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 14.7921 10.3099 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 34.0162 10.3099 0 0.02805 protocols.relax.FastRelax: CMD: min -103.216 10.2956 2.50104 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.216 10.2956 2.50104 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1301 10.2956 2.50104 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1129 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.2883 10.2956 2.50104 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.7864 10.2956 2.50104 0.154 protocols.relax.FastRelax: CMD: min -73.3867 10.2914 2.70229 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.3867 10.2914 2.70229 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4921 10.2914 2.70229 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1089 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8124 10.2914 2.70229 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.9723 10.2914 2.70229 0.31955 protocols.relax.FastRelax: CMD: min -63.2649 10.2817 2.4724 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.2649 10.2817 2.4724 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1858 10.2817 2.4724 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1067 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.938 10.2817 2.4724 0.55 protocols.relax.FastRelax: CMD: min -74.7583 10.726 2.79789 0.55 protocols.relax.FastRelax: MRP: 0 -74.7583 -74.7583 10.726 2.79789 protocols.relax.FastRelax: CMD: accept_to_best -74.7583 10.726 2.79789 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.7583 10.726 2.79789 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7583 10.726 2.79789 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.629 10.726 2.79789 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1181 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.357 10.726 2.79789 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -114.414 10.726 2.79789 0.02805 protocols.relax.FastRelax: CMD: min -139.362 11.1649 3.72416 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.362 11.1649 3.72416 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.8074 11.1649 3.72416 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1177 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.991 11.1649 3.72416 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.3597 11.1649 3.72416 0.154 protocols.relax.FastRelax: CMD: min -114.578 11.1054 3.71936 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -114.578 11.1054 3.71936 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8486 11.1054 3.71936 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1164 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.7204 11.1054 3.71936 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.9223 11.1054 3.71936 0.31955 protocols.relax.FastRelax: CMD: min -97.0074 11.1009 3.70217 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.0074 11.1009 3.70217 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -74.616 11.1009 3.70217 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1199 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.8136 11.1009 3.70217 0.55 protocols.relax.FastRelax: CMD: min -90.9056 11.2563 4.24011 0.55 protocols.relax.FastRelax: MRP: 1 -90.9056 -90.9056 11.2563 4.24011 protocols.relax.FastRelax: CMD: accept_to_best -90.9056 11.2563 4.24011 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.9056 11.2563 4.24011 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.9056 11.2563 4.24011 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.757 11.2563 4.24011 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1524 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.585 11.2563 4.24011 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -127.045 11.2563 4.24011 0.02805 protocols.relax.FastRelax: CMD: min -133.77 11.4156 4.33062 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -133.77 11.4156 4.33062 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -114.197 11.4156 4.33062 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1420 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.067 11.4156 4.33062 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -114.829 11.4156 4.33062 0.154 protocols.relax.FastRelax: CMD: min -120.771 11.2981 4.20732 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -120.771 11.2981 4.20732 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -105.661 11.2981 4.20732 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1348 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.085 11.2981 4.20732 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -104.937 11.2981 4.20732 0.31955 protocols.relax.FastRelax: CMD: min -106.312 11.2763 4.26766 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -106.312 11.2763 4.26766 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2955 11.2763 4.26766 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1277 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.4926 11.2763 4.26766 0.55 protocols.relax.FastRelax: CMD: min -92.7228 11.2667 4.3329 0.55 protocols.relax.FastRelax: MRP: 2 -92.7228 -92.7228 11.2667 4.3329 protocols.relax.FastRelax: CMD: accept_to_best -92.7228 11.2667 4.3329 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.7228 11.2667 4.3329 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -92.7228 11.2667 4.3329 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -127.102 11.2667 4.3329 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1319 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.473 11.2667 4.3329 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -127.806 11.2667 4.3329 0.02805 protocols.relax.FastRelax: CMD: min -131.614 11.3659 4.41394 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -131.614 11.3659 4.41394 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -113.576 11.3659 4.41394 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1349 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.648 11.3659 4.41394 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -116.695 11.3659 4.41394 0.154 protocols.relax.FastRelax: CMD: min -120.86 11.3237 4.38484 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -120.86 11.3237 4.38484 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -106.816 11.3237 4.38484 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1303 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.96 11.3237 4.38484 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -105.878 11.3237 4.38484 0.31955 protocols.relax.FastRelax: CMD: min -106.36 11.2966 4.37014 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -106.36 11.2966 4.37014 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -87.8654 11.2966 4.37014 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1271 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.0327 11.2966 4.37014 0.55 protocols.relax.FastRelax: CMD: min -92.7274 11.2645 4.33114 0.55 protocols.relax.FastRelax: MRP: 3 -92.7274 -92.7274 11.2645 4.33114 protocols.relax.FastRelax: CMD: accept_to_best -92.7274 11.2645 4.33114 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.7274 11.2645 4.33114 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -92.7274 11.2645 4.33114 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -127.107 11.2645 4.33114 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1319 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.495 11.2645 4.33114 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -127.83 11.2645 4.33114 0.02805 protocols.relax.FastRelax: CMD: min -131.631 11.3633 4.41163 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -131.631 11.3633 4.41163 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -113.65 11.3633 4.41163 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1350 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.688 11.3633 4.41163 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -116.738 11.3633 4.41163 0.154 protocols.relax.FastRelax: CMD: min -121.556 11.3157 4.35486 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -121.556 11.3157 4.35486 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -107.009 11.3157 4.35486 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1306 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.201 11.3157 4.35486 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -106.081 11.3157 4.35486 0.31955 protocols.relax.FastRelax: CMD: min -107.831 11.2721 4.32098 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.831 11.2721 4.32098 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -89.712 11.2721 4.32098 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1163 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.9018 11.2721 4.32098 0.55 protocols.relax.FastRelax: CMD: min -92.7255 11.2638 4.32924 0.55 protocols.relax.FastRelax: MRP: 4 -92.7255 -92.7274 11.2645 4.33114 protocols.relax.FastRelax: CMD: accept_to_best -92.7255 11.2638 4.32924 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.7255 11.2638 4.32924 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_47.pdb protocols.relax.FastRelax: CMD: repeat 25153.8 15.1541 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 25153.8 15.1541 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4491.92 15.1541 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1410 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 60.183 15.1541 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 76.8829 15.1541 0 0.02805 protocols.relax.FastRelax: CMD: min -107.809 14.8827 2.54133 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.809 14.8827 2.54133 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3239 14.8827 2.54133 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1388 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.3211 14.8827 2.54133 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.6158 14.8827 2.54133 0.154 protocols.relax.FastRelax: CMD: min -86.8084 14.8389 2.41675 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.8084 14.8389 2.41675 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.0883 14.8389 2.41675 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1198 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8958 14.8389 2.41675 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.434 14.8389 2.41675 0.31955 protocols.relax.FastRelax: CMD: min -68.3128 14.825 2.394 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.3128 14.825 2.394 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7639 14.825 2.394 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1179 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.0087 14.825 2.394 0.55 protocols.relax.FastRelax: CMD: min -82.0733 14.9204 4.25056 0.55 protocols.relax.FastRelax: MRP: 0 -82.0733 -82.0733 14.9204 4.25056 protocols.relax.FastRelax: CMD: accept_to_best -82.0733 14.9204 4.25056 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.0733 14.9204 4.25056 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.0733 14.9204 4.25056 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -111.514 14.9204 4.25056 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1305 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.978 14.9204 4.25056 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -114.727 14.9204 4.25056 0.02805 protocols.relax.FastRelax: CMD: min -135.716 14.8869 4.30521 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -135.716 14.8869 4.30521 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -85.1616 14.8869 4.30521 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1318 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.8748 14.8869 4.30521 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1071 14.8869 4.30521 0.154 protocols.relax.FastRelax: CMD: min -116.399 14.8852 4.20144 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -116.399 14.8852 4.20144 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5864 14.8852 4.20144 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1222 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.7563 14.8852 4.20144 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.3494 14.8852 4.20144 0.31955 protocols.relax.FastRelax: CMD: min -100.756 14.8873 4.13951 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.756 14.8873 4.13951 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6868 14.8873 4.13951 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1185 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.9755 14.8873 4.13951 0.55 protocols.relax.FastRelax: CMD: min -94.7084 14.8049 3.9378 0.55 protocols.relax.FastRelax: MRP: 1 -94.7084 -94.7084 14.8049 3.9378 protocols.relax.FastRelax: CMD: accept_to_best -94.7084 14.8049 3.9378 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.7084 14.8049 3.9378 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7084 14.8049 3.9378 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.348 14.8049 3.9378 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1370 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -126.786 14.8049 3.9378 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -125.778 14.8049 3.9378 0.02805 protocols.relax.FastRelax: CMD: min -139.943 14.7751 3.87379 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.943 14.7751 3.87379 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -102.559 14.7751 3.87379 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1318 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.847 14.7751 3.87379 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.945 14.7751 3.87379 0.154 protocols.relax.FastRelax: CMD: min -121.308 14.8137 3.86659 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -121.308 14.8137 3.86659 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -104.341 14.8137 3.86659 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1227 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.624 14.8137 3.86659 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -103.324 14.8137 3.86659 0.31955 protocols.relax.FastRelax: CMD: min -106.977 14.8139 3.91921 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -106.977 14.8139 3.91921 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -88.928 14.8139 3.91921 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1182 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.6413 14.8139 3.91921 0.55 protocols.relax.FastRelax: CMD: min -94.7743 14.7994 3.97613 0.55 protocols.relax.FastRelax: MRP: 2 -94.7743 -94.7743 14.7994 3.97613 protocols.relax.FastRelax: CMD: accept_to_best -94.7743 14.7994 3.97613 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.7743 14.7994 3.97613 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7743 14.7994 3.97613 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.607 14.7994 3.97613 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1372 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.049 14.7994 3.97613 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -126.025 14.7994 3.97613 0.02805 protocols.relax.FastRelax: CMD: min -139.664 14.7636 3.88959 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.664 14.7636 3.88959 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -105.269 14.7636 3.88959 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1312 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.463 14.7636 3.88959 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -111.793 14.7636 3.88959 0.154 protocols.relax.FastRelax: CMD: min -121.63 14.7909 3.91633 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -121.63 14.7909 3.91633 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -105.324 14.7909 3.91633 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1200 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.325 14.7909 3.91633 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -104.041 14.7909 3.91633 0.31955 protocols.relax.FastRelax: CMD: min -107.768 14.7965 3.93338 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.768 14.7965 3.93338 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -90.001 14.7965 3.93338 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1190 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.098 14.7965 3.93338 0.55 protocols.relax.FastRelax: CMD: min -94.8147 14.8013 3.9622 0.55 protocols.relax.FastRelax: MRP: 3 -94.8147 -94.8147 14.8013 3.9622 protocols.relax.FastRelax: CMD: accept_to_best -94.8147 14.8013 3.9622 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.8147 14.8013 3.9622 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.8147 14.8013 3.9622 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.754 14.8013 3.9622 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1372 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.152 14.8013 3.9622 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -126.134 14.8013 3.9622 0.02805 protocols.relax.FastRelax: CMD: min -138.634 14.7493 3.92423 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -138.634 14.7493 3.92423 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -101.873 14.7493 3.92423 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1294 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.994 14.7493 3.92423 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.123 14.7493 3.92423 0.154 protocols.relax.FastRelax: CMD: min -121.593 14.8156 3.87498 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -121.593 14.8156 3.87498 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -105.59 14.8156 3.87498 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1259 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.728 14.8156 3.87498 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -104.51 14.8156 3.87498 0.31955 protocols.relax.FastRelax: CMD: min -107.45 14.8075 3.89096 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.45 14.8075 3.89096 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -90.3585 14.8075 3.89096 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1190 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.482 14.8075 3.89096 0.55 protocols.relax.FastRelax: CMD: min -94.8816 14.8109 3.95032 0.55 protocols.relax.FastRelax: MRP: 4 -94.8816 -94.8816 14.8109 3.95032 protocols.relax.FastRelax: CMD: accept_to_best -94.8816 14.8109 3.95032 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.8816 14.8109 3.95032 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_26.pdb protocols.relax.FastRelax: CMD: repeat 24081.1 11.9839 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24081.1 11.9839 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3489.96 11.9839 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1109 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 36.007 11.9839 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 59.6346 11.9839 0 0.02805 protocols.relax.FastRelax: CMD: min -65.2734 11.6697 4.50727 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.2734 11.6697 4.50727 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 108.325 11.6697 4.50727 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1234 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.0686 11.6697 4.50727 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.838 11.6697 4.50727 0.154 protocols.relax.FastRelax: CMD: min -85.6286 11.5049 4.40998 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.6286 11.5049 4.40998 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8659 11.5049 4.40998 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1200 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.996 11.5049 4.40998 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.9357 11.5049 4.40998 0.31955 protocols.relax.FastRelax: CMD: min -75.575 11.5187 4.3998 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.575 11.5187 4.3998 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5172 11.5187 4.3998 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1177 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.987 11.5187 4.3998 0.55 protocols.relax.FastRelax: CMD: min -89.8542 11.4039 4.57559 0.55 protocols.relax.FastRelax: MRP: 0 -89.8542 -89.8542 11.4039 4.57559 protocols.relax.FastRelax: CMD: accept_to_best -89.8542 11.4039 4.57559 0.55 protocols.relax.FastRelax: CMD: endrepeat -89.8542 11.4039 4.57559 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -89.8542 11.4039 4.57559 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -113.026 11.4039 4.57559 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1179 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -119.725 11.4039 4.57559 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -118.837 11.4039 4.57559 0.02805 protocols.relax.FastRelax: CMD: min -136.022 11.3356 4.80302 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -136.022 11.3356 4.80302 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9338 11.3356 4.80302 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1212 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.5185 11.3356 4.80302 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -91.8912 11.3356 4.80302 0.154 protocols.relax.FastRelax: CMD: min -117.718 11.369 4.86714 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.718 11.369 4.86714 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -102.054 11.369 4.86714 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1161 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.237 11.369 4.86714 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -101.016 11.369 4.86714 0.31955 protocols.relax.FastRelax: CMD: min -104.772 11.3522 4.81628 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -104.772 11.3522 4.81628 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3056 11.3522 4.81628 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1115 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.3309 11.3522 4.81628 0.55 protocols.relax.FastRelax: CMD: min -102.736 11.4186 4.80249 0.55 protocols.relax.FastRelax: MRP: 1 -102.736 -102.736 11.4186 4.80249 protocols.relax.FastRelax: CMD: accept_to_best -102.736 11.4186 4.80249 0.55 protocols.relax.FastRelax: CMD: endrepeat -102.736 11.4186 4.80249 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -102.736 11.4186 4.80249 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -127.769 11.4186 4.80249 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1204 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.838 11.4186 4.80249 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.508 11.4186 4.80249 0.02805 protocols.relax.FastRelax: CMD: min -148.656 11.4714 5.08244 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -148.656 11.4714 5.08244 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -110.606 11.4714 5.08244 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1240 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.344 11.4714 5.08244 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -113.083 11.4714 5.08244 0.154 protocols.relax.FastRelax: CMD: min -126.926 11.4387 5.01578 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -126.926 11.4387 5.01578 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -110.052 11.4387 5.01578 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1197 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.122 11.4387 5.01578 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -108.811 11.4387 5.01578 0.31955 protocols.relax.FastRelax: CMD: min -115.561 11.4278 4.94142 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -115.561 11.4278 4.94142 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -98.215 11.4278 4.94142 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1190 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.2174 11.4278 4.94142 0.55 protocols.relax.FastRelax: CMD: min -113.388 11.4523 4.99107 0.55 protocols.relax.FastRelax: MRP: 2 -113.388 -113.388 11.4523 4.99107 protocols.relax.FastRelax: CMD: accept_to_best -113.388 11.4523 4.99107 0.55 protocols.relax.FastRelax: CMD: endrepeat -113.388 11.4523 4.99107 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -113.388 11.4523 4.99107 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -140.261 11.4523 4.99107 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1287 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -141.907 11.4523 4.99107 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -141.47 11.4523 4.99107 0.02805 protocols.relax.FastRelax: CMD: min -157.632 11.4391 5.30797 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -157.632 11.4391 5.30797 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -115.04 11.4391 5.30797 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1261 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.764 11.4391 5.30797 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -113.138 11.4391 5.30797 0.154 protocols.relax.FastRelax: CMD: min -135.957 11.4828 5.1629 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -135.957 11.4828 5.1629 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -120.059 11.4828 5.1629 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1238 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.091 11.4828 5.1629 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -118.842 11.4828 5.1629 0.31955 protocols.relax.FastRelax: CMD: min -122.074 11.4834 5.08692 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -122.074 11.4834 5.08692 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -105.286 11.4834 5.08692 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1224 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.503 11.4834 5.08692 0.55 protocols.relax.FastRelax: CMD: min -112.761 11.4797 5.03822 0.55 protocols.relax.FastRelax: MRP: 3 -112.761 -113.388 11.4523 4.99107 protocols.relax.FastRelax: CMD: accept_to_best -112.761 11.4797 5.03822 0.55 protocols.relax.FastRelax: CMD: endrepeat -112.761 11.4797 5.03822 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -112.761 11.4797 5.03822 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -138.802 11.4797 5.03822 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1248 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -140.499 11.4797 5.03822 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -140.027 11.4797 5.03822 0.02805 protocols.relax.FastRelax: CMD: min -146.298 11.5209 5.10745 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -146.298 11.5209 5.10745 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -126.032 11.5209 5.10745 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1286 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -130.633 11.5209 5.10745 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -129.557 11.5209 5.10745 0.154 protocols.relax.FastRelax: CMD: min -135.047 11.5135 5.05257 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -135.047 11.5135 5.05257 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -121.78 11.5135 5.05257 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1250 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.855 11.5135 5.05257 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -120.812 11.5135 5.05257 0.31955 protocols.relax.FastRelax: CMD: min -123.444 11.4886 5.0409 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -123.444 11.4886 5.0409 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -108.574 11.4886 5.0409 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1199 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.574 11.4886 5.0409 0.55 protocols.relax.FastRelax: CMD: min -113.339 11.4694 5.03928 0.55 protocols.relax.FastRelax: MRP: 4 -113.339 -113.388 11.4523 4.99107 protocols.relax.FastRelax: CMD: accept_to_best -113.339 11.4694 5.03928 0.55 protocols.relax.FastRelax: CMD: endrepeat -113.339 11.4694 5.03928 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_33.pdb protocols.relax.FastRelax: CMD: repeat 27527.5 17.33 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 27527.5 17.33 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4000.91 17.33 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1185 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 27.3167 17.33 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 42.6634 17.33 0 0.02805 protocols.relax.FastRelax: CMD: min -89.9414 16.5451 1.9192 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.9414 16.5451 1.9192 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0797 16.5451 1.9192 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1491 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.5076 16.5451 1.9192 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.0227 16.5451 1.9192 0.154 protocols.relax.FastRelax: CMD: min -81.4084 16.2604 2.41872 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4084 16.2604 2.41872 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.732 16.2604 2.41872 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1205 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.1159 16.2604 2.41872 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.6797 16.2604 2.41872 0.31955 protocols.relax.FastRelax: CMD: min -63.9614 16.2294 2.41964 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.9614 16.2294 2.41964 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.8658 16.2294 2.41964 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1136 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.96 16.2294 2.41964 0.55 protocols.relax.FastRelax: CMD: min -68.376 16.016 2.85799 0.55 protocols.relax.FastRelax: MRP: 0 -68.376 -68.376 16.016 2.85799 protocols.relax.FastRelax: CMD: accept_to_best -68.376 16.016 2.85799 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.376 16.016 2.85799 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.376 16.016 2.85799 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.372 16.016 2.85799 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1391 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.969 16.016 2.85799 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.822 16.016 2.85799 0.02805 protocols.relax.FastRelax: CMD: min -122.141 15.9528 2.98083 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.141 15.9528 2.98083 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0255 15.9528 2.98083 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1359 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.3191 15.9528 2.98083 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.7756 15.9528 2.98083 0.154 protocols.relax.FastRelax: CMD: min -99.4533 15.8699 3.05598 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -99.4533 15.8699 3.05598 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.189 15.8699 3.05598 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1292 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.4918 15.8699 3.05598 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0762 15.8699 3.05598 0.31955 protocols.relax.FastRelax: CMD: min -82.6846 15.8435 3.03845 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.6846 15.8435 3.03845 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.0749 15.8435 3.03845 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1203 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1877 15.8435 3.03845 0.55 protocols.relax.FastRelax: CMD: min -72.7041 15.9322 3.0142 0.55 protocols.relax.FastRelax: MRP: 1 -72.7041 -72.7041 15.9322 3.0142 protocols.relax.FastRelax: CMD: accept_to_best -72.7041 15.9322 3.0142 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.7041 15.9322 3.0142 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7041 15.9322 3.0142 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.473 15.9322 3.0142 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1423 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.3 15.9322 3.0142 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.926 15.9322 3.0142 0.02805 protocols.relax.FastRelax: CMD: min -123.344 15.9369 3.0935 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -123.344 15.9369 3.0935 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.324 15.9369 3.0935 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1519 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.4866 15.9369 3.0935 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7792 15.9369 3.0935 0.154 protocols.relax.FastRelax: CMD: min -99.1147 15.9338 3.01774 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -99.1147 15.9338 3.01774 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1004 15.9338 3.01774 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1491 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.5497 15.9338 3.01774 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1258 15.9338 3.01774 0.31955 protocols.relax.FastRelax: CMD: min -86.0558 15.864 3.09552 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0558 15.864 3.09552 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.0078 15.864 3.09552 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1414 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0475 15.864 3.09552 0.55 protocols.relax.FastRelax: CMD: min -72.1969 15.9454 2.92776 0.55 protocols.relax.FastRelax: MRP: 2 -72.1969 -72.7041 15.9322 3.0142 protocols.relax.FastRelax: CMD: accept_to_best -72.1969 15.9454 2.92776 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.1969 15.9454 2.92776 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.1969 15.9454 2.92776 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.077 15.9454 2.92776 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1436 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.428 15.9454 2.92776 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -106.428 15.9454 2.92776 0.02805 protocols.relax.FastRelax: CMD: min -122.529 15.9582 2.99069 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.529 15.9582 2.99069 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0966 15.9582 2.99069 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1525 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.8929 15.9582 2.99069 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.7251 15.9582 2.99069 0.154 protocols.relax.FastRelax: CMD: min -100.286 15.8824 2.99499 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.286 15.8824 2.99499 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.807 15.8824 2.99499 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1392 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.3118 15.8824 2.99499 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8463 15.8824 2.99499 0.31955 protocols.relax.FastRelax: CMD: min -87.3128 15.8758 3.00163 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.3128 15.8758 3.00163 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.0602 15.8758 3.00163 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1307 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.0658 15.8758 3.00163 0.55 protocols.relax.FastRelax: CMD: min -75.0413 15.8895 2.99706 0.55 protocols.relax.FastRelax: MRP: 3 -75.0413 -75.0413 15.8895 2.99706 protocols.relax.FastRelax: CMD: accept_to_best -75.0413 15.8895 2.99706 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.0413 15.8895 2.99706 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0413 15.8895 2.99706 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -107.63 15.8895 2.99706 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1498 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.437 15.8895 2.99706 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.727 15.8895 2.99706 0.02805 protocols.relax.FastRelax: CMD: min -129.454 15.8566 3.06067 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.454 15.8566 3.06067 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -92.241 15.8566 3.06067 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1619 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.0647 15.8566 3.06067 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -92.6867 15.8566 3.06067 0.154 protocols.relax.FastRelax: CMD: min -107.992 15.8393 3.04029 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -107.992 15.8393 3.04029 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -89.4009 15.8393 3.04029 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1467 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.4287 15.8393 3.04029 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9518 15.8393 3.04029 0.31955 protocols.relax.FastRelax: CMD: min -92.3164 15.8494 3.0393 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -92.3164 15.8494 3.0393 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.4754 15.8494 3.0393 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1418 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.5032 15.8494 3.0393 0.55 protocols.relax.FastRelax: CMD: min -78.6763 15.8374 3.09505 0.55 protocols.relax.FastRelax: MRP: 4 -78.6763 -78.6763 15.8374 3.09505 protocols.relax.FastRelax: CMD: accept_to_best -78.6763 15.8374 3.09505 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.6763 15.8374 3.09505 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_16.pdb protocols.relax.FastRelax: CMD: repeat 25331.8 12.7966 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 25331.8 12.7966 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3581.47 12.7966 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1086 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 6.9947 12.7966 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 20.5281 12.7966 0 0.02805 protocols.relax.FastRelax: CMD: min -94.4185 12.4187 1.73129 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.4185 12.4187 1.73129 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.8598 12.4187 1.73129 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1173 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.7057 12.4187 1.73129 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3927 12.4187 1.73129 0.154 protocols.relax.FastRelax: CMD: min -87.4077 12.4192 1.87628 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.4077 12.4192 1.87628 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.213 12.4192 1.87628 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1063 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.1947 12.4192 1.87628 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.629 12.4192 1.87628 0.31955 protocols.relax.FastRelax: CMD: min -72.7829 12.4225 1.86258 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7829 12.4225 1.86258 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.6803 12.4225 1.86258 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1016 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.7252 12.4225 1.86258 0.55 protocols.relax.FastRelax: CMD: min -81.0293 12.4723 2.41151 0.55 protocols.relax.FastRelax: MRP: 0 -81.0293 -81.0293 12.4723 2.41151 protocols.relax.FastRelax: CMD: accept_to_best -81.0293 12.4723 2.41151 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.0293 12.4723 2.41151 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.0293 12.4723 2.41151 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.967 12.4723 2.41151 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 975 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.132 12.4723 2.41151 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -113.38 12.4723 2.41151 0.02805 protocols.relax.FastRelax: CMD: min -131.315 12.4995 2.52829 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -131.315 12.4995 2.52829 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.7629 12.4995 2.52829 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1016 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.8457 12.4995 2.52829 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -97.7722 12.4995 2.52829 0.154 protocols.relax.FastRelax: CMD: min -112.358 12.4968 2.42592 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -112.358 12.4968 2.42592 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -96.7612 12.4968 2.42592 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 920 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.7879 12.4968 2.42592 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -95.565 12.4968 2.42592 0.31955 protocols.relax.FastRelax: CMD: min -97.1702 12.491 2.43511 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.1702 12.491 2.43511 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4468 12.491 2.43511 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 907 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.4478 12.491 2.43511 0.55 protocols.relax.FastRelax: CMD: min -87.6452 12.4523 2.35178 0.55 protocols.relax.FastRelax: MRP: 1 -87.6452 -87.6452 12.4523 2.35178 protocols.relax.FastRelax: CMD: accept_to_best -87.6452 12.4523 2.35178 0.55 protocols.relax.FastRelax: CMD: endrepeat -87.6452 12.4523 2.35178 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -87.6452 12.4523 2.35178 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.111 12.4523 2.35178 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1003 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -119.492 12.4523 2.35178 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -118.864 12.4523 2.35178 0.02805 protocols.relax.FastRelax: CMD: min -135.323 12.4758 2.46897 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -135.323 12.4758 2.46897 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.6256 12.4758 2.46897 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1018 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.186 12.4758 2.46897 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -102.433 12.4758 2.46897 0.154 protocols.relax.FastRelax: CMD: min -112.443 12.459 2.41033 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -112.443 12.459 2.41033 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.909 12.459 2.41033 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.9201 12.459 2.41033 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6174 12.459 2.41033 0.31955 protocols.relax.FastRelax: CMD: min -97.8772 12.4432 2.38296 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.8772 12.4432 2.38296 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -80.2436 12.4432 2.38296 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 937 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.2814 12.4432 2.38296 0.55 protocols.relax.FastRelax: CMD: min -90.1173 12.4534 2.53222 0.55 protocols.relax.FastRelax: MRP: 2 -90.1173 -90.1173 12.4534 2.53222 protocols.relax.FastRelax: CMD: accept_to_best -90.1173 12.4534 2.53222 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.1173 12.4534 2.53222 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.1173 12.4534 2.53222 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.103 12.4534 2.53222 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1021 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.818 12.4534 2.53222 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.399 12.4534 2.53222 0.02805 protocols.relax.FastRelax: CMD: min -138.991 12.4186 2.62591 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -138.991 12.4186 2.62591 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -91.8976 12.4186 2.62591 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1099 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.3485 12.4186 2.62591 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.0357 12.4186 2.62591 0.154 protocols.relax.FastRelax: CMD: min -114.211 12.4403 2.5897 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -114.211 12.4403 2.5897 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -96.2081 12.4403 2.5897 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.2676 12.4403 2.5897 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.8589 12.4403 2.5897 0.31955 protocols.relax.FastRelax: CMD: min -97.8027 12.433 2.54506 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.8027 12.433 2.54506 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4887 12.433 2.54506 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1000 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.7227 12.433 2.54506 0.55 protocols.relax.FastRelax: CMD: min -88.0326 12.5108 2.50328 0.55 protocols.relax.FastRelax: MRP: 3 -88.0326 -90.1173 12.4534 2.53222 protocols.relax.FastRelax: CMD: accept_to_best -88.0326 12.5108 2.50328 0.55 protocols.relax.FastRelax: CMD: endrepeat -88.0326 12.5108 2.50328 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -88.0326 12.5108 2.50328 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -119.654 12.5108 2.50328 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1085 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.374 12.5108 2.50328 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.521 12.5108 2.50328 0.02805 protocols.relax.FastRelax: CMD: min -140.874 12.4101 2.62724 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -140.874 12.4101 2.62724 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.3287 12.4101 2.62724 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1197 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.494 12.4101 2.62724 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.7381 12.4101 2.62724 0.154 protocols.relax.FastRelax: CMD: min -117.849 12.4273 2.54203 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.849 12.4273 2.54203 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -99.6264 12.4273 2.54203 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1056 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.062 12.4273 2.54203 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.702 12.4273 2.54203 0.31955 protocols.relax.FastRelax: CMD: min -102.427 12.4341 2.52073 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -102.427 12.4341 2.52073 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -83.294 12.4341 2.52073 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 995 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.2942 12.4341 2.52073 0.55 protocols.relax.FastRelax: CMD: min -90.0047 12.4442 2.53729 0.55 protocols.relax.FastRelax: MRP: 4 -90.0047 -90.1173 12.4534 2.53222 protocols.relax.FastRelax: CMD: accept_to_best -90.0047 12.4442 2.53729 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.0047 12.4442 2.53729 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_43.pdb protocols.relax.FastRelax: CMD: repeat 25302 14.683 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 25302 14.683 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3319.37 14.683 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1170 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 59.3222 14.683 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 85.336 14.683 0 0.02805 protocols.relax.FastRelax: CMD: min -72.4363 14.8146 4.39462 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.4363 14.8146 4.39462 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.5694 14.8146 4.39462 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1041 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.8052 14.8146 4.39462 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -49.2839 14.8146 4.39462 0.154 protocols.relax.FastRelax: CMD: min -67.3605 14.8934 4.46095 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -67.3605 14.8934 4.46095 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2773 14.8934 4.46095 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1001 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.0835 14.8934 4.46095 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.887 14.8934 4.46095 0.31955 protocols.relax.FastRelax: CMD: min -52.427 14.8349 4.41967 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.427 14.8349 4.41967 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8511 14.8349 4.41967 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 995 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.8529 14.8349 4.41967 0.55 protocols.relax.FastRelax: CMD: min -67.6638 14.9334 4.85314 0.55 protocols.relax.FastRelax: MRP: 0 -67.6638 -67.6638 14.9334 4.85314 protocols.relax.FastRelax: CMD: accept_to_best -67.6638 14.9334 4.85314 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.6638 14.9334 4.85314 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6638 14.9334 4.85314 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.8757 14.9334 4.85314 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1026 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.0734 14.9334 4.85314 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.7327 14.9334 4.85314 0.02805 protocols.relax.FastRelax: CMD: min -101.647 15.0104 4.78514 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.647 15.0104 4.78514 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -85.0012 15.0104 4.78514 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 980 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.42 15.0104 4.78514 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.2904 15.0104 4.78514 0.154 protocols.relax.FastRelax: CMD: min -90.5849 14.9349 4.81457 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.5849 14.9349 4.81457 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3717 14.9349 4.81457 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 971 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.5694 14.9349 4.81457 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5921 14.9349 4.81457 0.31955 protocols.relax.FastRelax: CMD: min -80.0817 14.97 4.91768 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.0817 14.97 4.91768 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7948 14.97 4.91768 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 974 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.8511 14.97 4.91768 0.55 protocols.relax.FastRelax: CMD: min -73.7193 15.0553 4.95533 0.55 protocols.relax.FastRelax: MRP: 1 -73.7193 -73.7193 15.0553 4.95533 protocols.relax.FastRelax: CMD: accept_to_best -73.7193 15.0553 4.95533 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.7193 15.0553 4.95533 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.7193 15.0553 4.95533 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.58 15.0553 4.95533 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1015 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.201 15.0553 4.95533 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.754 15.0553 4.95533 0.02805 protocols.relax.FastRelax: CMD: min -103.472 15.1225 5.02626 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.472 15.1225 5.02626 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -92.2104 15.1225 5.02626 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 982 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.1267 15.1225 5.02626 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5307 15.1225 5.02626 0.154 protocols.relax.FastRelax: CMD: min -94.3976 15.106 4.99039 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.3976 15.106 4.99039 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.5233 15.106 4.99039 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.5233 15.106 4.99039 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -82.6659 15.106 4.99039 0.31955 protocols.relax.FastRelax: CMD: min -83.5088 15.0816 4.94986 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.5088 15.0816 4.94986 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.2751 15.0816 4.94986 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 966 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.2755 15.0816 4.94986 0.55 protocols.relax.FastRelax: CMD: min -74.0595 14.9996 4.98411 0.55 protocols.relax.FastRelax: MRP: 2 -74.0595 -74.0595 14.9996 4.98411 protocols.relax.FastRelax: CMD: accept_to_best -74.0595 14.9996 4.98411 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.0595 14.9996 4.98411 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.0595 14.9996 4.98411 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.895 14.9996 4.98411 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1017 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.01 14.9996 4.98411 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.647 14.9996 4.98411 0.02805 protocols.relax.FastRelax: CMD: min -105.693 15.0416 5.05143 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.693 15.0416 5.05143 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.4734 15.0416 5.05143 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 986 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.5945 15.0416 5.05143 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.9486 15.0416 5.05143 0.154 protocols.relax.FastRelax: CMD: min -96.7144 15.0531 5.04248 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.7144 15.0531 5.04248 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.6998 15.0531 5.04248 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 974 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.6998 15.0531 5.04248 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.8313 15.0531 5.04248 0.31955 protocols.relax.FastRelax: CMD: min -86.8645 14.9942 4.94025 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.8645 14.9942 4.94025 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7937 14.9942 4.94025 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 994 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.1228 14.9942 4.94025 0.55 protocols.relax.FastRelax: CMD: min -75.7942 14.9891 4.97272 0.55 protocols.relax.FastRelax: MRP: 3 -75.7942 -75.7942 14.9891 4.97272 protocols.relax.FastRelax: CMD: accept_to_best -75.7942 14.9891 4.97272 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.7942 14.9891 4.97272 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7942 14.9891 4.97272 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.549 14.9891 4.97272 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1010 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.062 14.9891 4.97272 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.652 14.9891 4.97272 0.02805 protocols.relax.FastRelax: CMD: min -113.016 15.0661 4.99803 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.016 15.0661 4.99803 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -82.5986 15.0661 4.99803 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.0425 15.0661 4.99803 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.2715 15.0661 4.99803 0.154 protocols.relax.FastRelax: CMD: min -98.3491 15.0195 4.98258 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.3491 15.0195 4.98258 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.7045 15.0195 4.98258 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 967 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.7128 15.0195 4.98258 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.7162 15.0195 4.98258 0.31955 protocols.relax.FastRelax: CMD: min -86.9977 15.0211 5.04121 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.9977 15.0211 5.04121 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.905 15.0211 5.04121 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 965 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.9075 15.0211 5.04121 0.55 protocols.relax.FastRelax: CMD: min -76.1773 14.8538 4.91813 0.55 protocols.relax.FastRelax: MRP: 4 -76.1773 -76.1773 14.8538 4.91813 protocols.relax.FastRelax: CMD: accept_to_best -76.1773 14.8538 4.91813 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.1773 14.8538 4.91813 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_14.pdb protocols.relax.FastRelax: CMD: repeat 20134.4 12.9388 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 20134.4 12.9388 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2975.6 12.9388 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1060 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 31.1402 12.9388 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 48.1757 12.9388 0 0.02805 protocols.relax.FastRelax: CMD: min -101.714 13.6257 2.73983 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.714 13.6257 2.73983 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8279 13.6257 2.73983 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1209 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.1425 13.6257 2.73983 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.7949 13.6257 2.73983 0.154 protocols.relax.FastRelax: CMD: min -93.6903 13.2556 2.28426 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.6903 13.2556 2.28426 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4584 13.2556 2.28426 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1138 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6497 13.2556 2.28426 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9139 13.2556 2.28426 0.31955 protocols.relax.FastRelax: CMD: min -76.9762 13.1954 2.17878 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.9762 13.1954 2.17878 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.112 13.1954 2.17878 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1083 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.4125 13.1954 2.17878 0.55 protocols.relax.FastRelax: CMD: min -80.6669 13.2535 2.32744 0.55 protocols.relax.FastRelax: MRP: 0 -80.6669 -80.6669 13.2535 2.32744 protocols.relax.FastRelax: CMD: accept_to_best -80.6669 13.2535 2.32744 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.6669 13.2535 2.32744 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.6669 13.2535 2.32744 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -116.991 13.2535 2.32744 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1217 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -119.19 13.2535 2.32744 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -118.589 13.2535 2.32744 0.02805 protocols.relax.FastRelax: CMD: min -143.2 13.3668 2.73604 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -143.2 13.3668 2.73604 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -84.0374 13.3668 2.73604 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1236 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5912 13.3668 2.73604 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9329 13.3668 2.73604 0.154 protocols.relax.FastRelax: CMD: min -115.292 13.2953 2.47381 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -115.292 13.2953 2.47381 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.862 13.2953 2.47381 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1164 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.4664 13.2953 2.47381 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -91.6784 13.2953 2.47381 0.31955 protocols.relax.FastRelax: CMD: min -96.9866 13.2519 2.38002 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -96.9866 13.2519 2.38002 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3138 13.2519 2.38002 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1090 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.5452 13.2519 2.38002 0.55 protocols.relax.FastRelax: CMD: min -84.5728 13.266 2.29157 0.55 protocols.relax.FastRelax: MRP: 1 -84.5728 -84.5728 13.266 2.29157 protocols.relax.FastRelax: CMD: accept_to_best -84.5728 13.266 2.29157 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.5728 13.266 2.29157 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.5728 13.266 2.29157 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -122.491 13.266 2.29157 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1265 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -124.055 13.266 2.29157 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -123.514 13.266 2.29157 0.02805 protocols.relax.FastRelax: CMD: min -146.115 13.3912 2.69304 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -146.115 13.3912 2.69304 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -84.5016 13.3912 2.69304 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1174 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.9808 13.3912 2.69304 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.5567 13.3912 2.69304 0.154 protocols.relax.FastRelax: CMD: min -115.475 13.3294 2.50572 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -115.475 13.3294 2.50572 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.5666 13.3294 2.50572 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1129 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.8446 13.3294 2.50572 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.7832 13.3294 2.50572 0.31955 protocols.relax.FastRelax: CMD: min -100.389 13.2749 2.38876 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.389 13.2749 2.38876 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.5896 13.2749 2.38876 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1126 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.992 13.2749 2.38876 0.55 protocols.relax.FastRelax: CMD: min -86.2883 13.2996 2.31279 0.55 protocols.relax.FastRelax: MRP: 2 -86.2883 -86.2883 13.2996 2.31279 protocols.relax.FastRelax: CMD: accept_to_best -86.2883 13.2996 2.31279 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.2883 13.2996 2.31279 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.2883 13.2996 2.31279 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -123.977 13.2996 2.31279 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1271 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.078 13.2996 2.31279 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.553 13.2996 2.31279 0.02805 protocols.relax.FastRelax: CMD: min -133.794 13.3442 2.47849 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -133.794 13.3442 2.47849 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -109.004 13.3442 2.47849 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1156 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.093 13.3442 2.47849 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.649 13.3442 2.47849 0.154 protocols.relax.FastRelax: CMD: min -118.822 13.3382 2.442 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -118.822 13.3382 2.442 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -97.6289 13.3382 2.442 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1132 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.6796 13.3382 2.442 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -96.0145 13.3382 2.442 0.31955 protocols.relax.FastRelax: CMD: min -98.3909 13.2938 2.39001 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -98.3909 13.2938 2.39001 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.0174 13.2938 2.39001 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1104 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.2538 13.2938 2.39001 0.55 protocols.relax.FastRelax: CMD: min -85.7933 13.317 2.34799 0.55 protocols.relax.FastRelax: MRP: 3 -85.7933 -86.2883 13.2996 2.31279 protocols.relax.FastRelax: CMD: accept_to_best -85.7933 13.317 2.34799 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.7933 13.317 2.34799 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.7933 13.317 2.34799 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -123.449 13.317 2.34799 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1284 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -124.913 13.317 2.34799 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.227 13.317 2.34799 0.02805 protocols.relax.FastRelax: CMD: min -148.006 13.4599 2.75059 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -148.006 13.4599 2.75059 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.4683 13.4599 2.75059 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1183 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.6193 13.4599 2.75059 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.3423 13.4599 2.75059 0.154 protocols.relax.FastRelax: CMD: min -118.501 13.3827 2.55691 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -118.501 13.3827 2.55691 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2019 13.3827 2.55691 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1145 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.3615 13.3827 2.55691 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -91.3531 13.3827 2.55691 0.31955 protocols.relax.FastRelax: CMD: min -99.9262 13.3079 2.40173 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -99.9262 13.3079 2.40173 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.9995 13.3079 2.40173 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1120 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.0184 13.3079 2.40173 0.55 protocols.relax.FastRelax: CMD: min -86.4188 13.2703 2.34548 0.55 protocols.relax.FastRelax: MRP: 4 -86.4188 -86.4188 13.2703 2.34548 protocols.relax.FastRelax: CMD: accept_to_best -86.4188 13.2703 2.34548 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.4188 13.2703 2.34548 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_5.pdb protocols.relax.FastRelax: CMD: repeat 24628.2 12.8313 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24628.2 12.8313 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3773.97 12.8313 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1090 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 5.60033 12.8313 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 11.6568 12.8313 0 0.02805 protocols.relax.FastRelax: CMD: min -81.2682 13.3126 5.26243 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2682 13.3126 5.26243 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1906 13.3126 5.26243 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 978 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.4836 13.3126 5.26243 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5125 13.3126 5.26243 0.154 protocols.relax.FastRelax: CMD: min -81.4552 13.951 6.78097 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4552 13.951 6.78097 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5389 13.951 6.78097 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0817 13.951 6.78097 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7676 13.951 6.78097 0.31955 protocols.relax.FastRelax: CMD: min -65.9517 13.9547 6.78084 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9517 13.9547 6.78084 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1526 13.9547 6.78084 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 956 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.3136 13.9547 6.78084 0.55 protocols.relax.FastRelax: CMD: min -84.9033 13.0957 9.47746 0.55 protocols.relax.FastRelax: MRP: 0 -84.9033 -84.9033 13.0957 9.47746 protocols.relax.FastRelax: CMD: accept_to_best -84.9033 13.0957 9.47746 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.9033 13.0957 9.47746 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.9033 13.0957 9.47746 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -118.187 13.0957 9.47746 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 961 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.08 13.0957 9.47746 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.556 13.0957 9.47746 0.02805 protocols.relax.FastRelax: CMD: min -124.712 13.0706 9.46784 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -124.712 13.0706 9.46784 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -106.284 13.0706 9.46784 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 944 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.745 13.0706 9.46784 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -104.46 13.0706 9.46784 0.154 protocols.relax.FastRelax: CMD: min -118.422 13.109 9.1901 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -118.422 13.109 9.1901 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -104.94 13.109 9.1901 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 936 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.01 13.109 9.1901 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -103.947 13.109 9.1901 0.31955 protocols.relax.FastRelax: CMD: min -104.021 13.1081 9.19483 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -104.021 13.1081 9.19483 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -83.9007 13.1081 9.19483 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 931 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.9011 13.1081 9.19483 0.55 protocols.relax.FastRelax: CMD: min -94.9489 12.8412 9.31831 0.55 protocols.relax.FastRelax: MRP: 1 -94.9489 -94.9489 12.8412 9.31831 protocols.relax.FastRelax: CMD: accept_to_best -94.9489 12.8412 9.31831 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.9489 12.8412 9.31831 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9489 12.8412 9.31831 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -128.639 12.8412 9.31831 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 945 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.849 12.8412 9.31831 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.414 12.8412 9.31831 0.02805 protocols.relax.FastRelax: CMD: min -129.743 12.8408 9.3101 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.743 12.8408 9.3101 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -121.198 12.8408 9.3101 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 929 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.198 12.8408 9.3101 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.6 12.8408 9.3101 0.154 protocols.relax.FastRelax: CMD: min -120.725 12.8397 9.30699 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -120.725 12.8397 9.30699 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -109.503 12.8397 9.30699 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 922 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.503 12.8397 9.30699 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -108.619 12.8397 9.30699 0.31955 protocols.relax.FastRelax: CMD: min -108.64 12.8388 9.30886 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -108.64 12.8388 9.30886 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -91.7828 12.8388 9.30886 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 908 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.7828 12.8388 9.30886 0.55 protocols.relax.FastRelax: CMD: min -95.0833 12.8302 9.31947 0.55 protocols.relax.FastRelax: MRP: 2 -95.0833 -95.0833 12.8302 9.31947 protocols.relax.FastRelax: CMD: accept_to_best -95.0833 12.8302 9.31947 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.0833 12.8302 9.31947 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -95.0833 12.8302 9.31947 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -128.72 12.8302 9.31947 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 949 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.915 12.8302 9.31947 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.481 12.8302 9.31947 0.02805 protocols.relax.FastRelax: CMD: min -129.802 12.8299 9.31157 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.802 12.8299 9.31157 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -121.275 12.8299 9.31157 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 931 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.275 12.8299 9.31157 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.677 12.8299 9.31157 0.154 protocols.relax.FastRelax: CMD: min -120.8 12.8289 9.30836 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -120.8 12.8289 9.30836 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -109.602 12.8289 9.30836 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 924 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.602 12.8289 9.30836 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -108.719 12.8289 9.30836 0.31955 protocols.relax.FastRelax: CMD: min -108.739 12.8281 9.31002 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -108.739 12.8281 9.31002 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9183 12.8281 9.31002 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 911 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.9183 12.8281 9.31002 0.55 protocols.relax.FastRelax: CMD: min -95.0904 12.8279 9.32794 0.55 protocols.relax.FastRelax: MRP: 3 -95.0904 -95.0904 12.8279 9.32794 protocols.relax.FastRelax: CMD: accept_to_best -95.0904 12.8279 9.32794 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.0904 12.8279 9.32794 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -95.0904 12.8279 9.32794 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -128.729 12.8279 9.32794 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 947 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.927 12.8279 9.32794 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.493 12.8279 9.32794 0.02805 protocols.relax.FastRelax: CMD: min -129.814 12.8276 9.31989 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.814 12.8276 9.31989 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -121.288 12.8276 9.31989 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 929 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.288 12.8276 9.31989 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.691 12.8276 9.31989 0.154 protocols.relax.FastRelax: CMD: min -120.814 12.8266 9.3166 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -120.814 12.8266 9.3166 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -109.617 12.8266 9.3166 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 922 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.617 12.8266 9.3166 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -108.735 12.8266 9.3166 0.31955 protocols.relax.FastRelax: CMD: min -108.755 12.8258 9.3182 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -108.755 12.8258 9.3182 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9374 12.8258 9.3182 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 909 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.9374 12.8258 9.3182 0.55 protocols.relax.FastRelax: CMD: min -95.1406 12.8261 9.33655 0.55 protocols.relax.FastRelax: MRP: 4 -95.1406 -95.1406 12.8261 9.33655 protocols.relax.FastRelax: CMD: accept_to_best -95.1406 12.8261 9.33655 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.1406 12.8261 9.33655 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_40.pdb protocols.relax.FastRelax: CMD: repeat 23312.4 15.2152 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 23312.4 15.2152 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3437.97 15.2152 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1114 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 41.9911 15.2152 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 59.7447 15.2152 0 0.02805 protocols.relax.FastRelax: CMD: min -91.1404 14.6527 3.25436 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.1404 14.6527 3.25436 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1112 14.6527 3.25436 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 972 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.7347 14.6527 3.25436 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.6413 14.6527 3.25436 0.154 protocols.relax.FastRelax: CMD: min -79.2276 14.8561 3.58043 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2276 14.8561 3.58043 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1675 14.8561 3.58043 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 981 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.2638 14.8561 3.58043 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.6085 14.8561 3.58043 0.31955 protocols.relax.FastRelax: CMD: min -60.1537 14.8665 3.68224 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.1537 14.8665 3.68224 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9358 14.8665 3.68224 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 963 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.964 14.8665 3.68224 0.55 protocols.relax.FastRelax: CMD: min -66.7315 15.03 6.37149 0.55 protocols.relax.FastRelax: MRP: 0 -66.7315 -66.7315 15.03 6.37149 protocols.relax.FastRelax: CMD: accept_to_best -66.7315 15.03 6.37149 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.7315 15.03 6.37149 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.7315 15.03 6.37149 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.112 15.03 6.37149 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1259 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.96 15.03 6.37149 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.825 15.03 6.37149 0.02805 protocols.relax.FastRelax: CMD: min -115.466 15.0791 6.52738 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.466 15.0791 6.52738 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9601 15.0791 6.52738 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1165 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.0507 15.0791 6.52738 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -89.644 15.0791 6.52738 0.154 protocols.relax.FastRelax: CMD: min -109.118 15.2771 6.6052 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.118 15.2771 6.6052 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.324 15.2771 6.6052 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1191 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.4994 15.2771 6.6052 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.0497 15.2771 6.6052 0.31955 protocols.relax.FastRelax: CMD: min -90.5379 15.2884 6.59185 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.5379 15.2884 6.59185 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9648 15.2884 6.59185 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1167 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.0988 15.2884 6.59185 0.55 protocols.relax.FastRelax: CMD: min -81.2835 15.39 6.66032 0.55 protocols.relax.FastRelax: MRP: 1 -81.2835 -81.2835 15.39 6.66032 protocols.relax.FastRelax: CMD: accept_to_best -81.2835 15.39 6.66032 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.2835 15.39 6.66032 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2835 15.39 6.66032 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -119.253 15.39 6.66032 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1296 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.274 15.39 6.66032 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -121.803 15.39 6.66032 0.02805 protocols.relax.FastRelax: CMD: min -145.043 15.3617 6.78037 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -145.043 15.3617 6.78037 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1838 15.3617 6.78037 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1271 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.6644 15.3617 6.78037 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9191 15.3617 6.78037 0.154 protocols.relax.FastRelax: CMD: min -115.199 15.4383 6.73318 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -115.199 15.4383 6.73318 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -91.7173 15.4383 6.73318 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1271 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.683 15.4383 6.73318 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8606 15.4383 6.73318 0.31955 protocols.relax.FastRelax: CMD: min -95.0392 15.4696 6.69216 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -95.0392 15.4696 6.69216 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2032 15.4696 6.69216 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1177 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.5332 15.4696 6.69216 0.55 protocols.relax.FastRelax: CMD: min -83.309 15.4065 6.66189 0.55 protocols.relax.FastRelax: MRP: 2 -83.309 -83.309 15.4065 6.66189 protocols.relax.FastRelax: CMD: accept_to_best -83.309 15.4065 6.66189 0.55 protocols.relax.FastRelax: CMD: endrepeat -83.309 15.4065 6.66189 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -83.309 15.4065 6.66189 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -122.054 15.4065 6.66189 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1420 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.235 15.4065 6.66189 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.09 15.4065 6.66189 0.02805 protocols.relax.FastRelax: CMD: min -132.824 15.4142 6.89404 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -132.824 15.4142 6.89404 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -82.671 15.4142 6.89404 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1280 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.175 15.4142 6.89404 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -101.135 15.4142 6.89404 0.154 protocols.relax.FastRelax: CMD: min -115.12 15.3525 6.72146 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -115.12 15.3525 6.72146 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -94.5812 15.3525 6.72146 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1255 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.8337 15.3525 6.72146 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2287 15.3525 6.72146 0.31955 protocols.relax.FastRelax: CMD: min -99.4873 15.3916 6.69575 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -99.4873 15.3916 6.69575 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7607 15.3916 6.69575 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1223 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.506 15.3916 6.69575 0.55 protocols.relax.FastRelax: CMD: min -87.7729 15.4468 6.78501 0.55 protocols.relax.FastRelax: MRP: 3 -87.7729 -87.7729 15.4468 6.78501 protocols.relax.FastRelax: CMD: accept_to_best -87.7729 15.4468 6.78501 0.55 protocols.relax.FastRelax: CMD: endrepeat -87.7729 15.4468 6.78501 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -87.7729 15.4468 6.78501 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.186 15.4468 6.78501 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1243 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.838 15.4468 6.78501 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.19 15.4468 6.78501 0.02805 protocols.relax.FastRelax: CMD: min -151.859 15.2377 6.93566 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -151.859 15.2377 6.93566 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.8192 15.2377 6.93566 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1270 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.992 15.2377 6.93566 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -97.7135 15.2377 6.93566 0.154 protocols.relax.FastRelax: CMD: min -124.226 15.2657 6.88826 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -124.226 15.2657 6.88826 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -103.339 15.2657 6.88826 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1276 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.614 15.2657 6.88826 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -101.967 15.2657 6.88826 0.31955 protocols.relax.FastRelax: CMD: min -105.69 15.3078 6.86546 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -105.69 15.3078 6.86546 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -82.0639 15.3078 6.86546 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1189 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.5209 15.3078 6.86546 0.55 protocols.relax.FastRelax: CMD: min -91.7744 15.3733 6.902 0.55 protocols.relax.FastRelax: MRP: 4 -91.7744 -91.7744 15.3733 6.902 protocols.relax.FastRelax: CMD: accept_to_best -91.7744 15.3733 6.902 0.55 protocols.relax.FastRelax: CMD: endrepeat -91.7744 15.3733 6.902 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_30.pdb protocols.relax.FastRelax: CMD: repeat 26717.2 16.5026 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 26717.2 16.5026 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4075.17 16.5026 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1103 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2.14045 16.5026 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 11.1514 16.5026 0 0.02805 protocols.relax.FastRelax: CMD: min -83.2125 16.1875 3.80972 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.2125 16.1875 3.80972 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.025 16.1875 3.80972 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 983 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.3244 16.1875 3.80972 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8039 16.1875 3.80972 0.154 protocols.relax.FastRelax: CMD: min -79.0085 15.4557 3.98272 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.0085 15.4557 3.98272 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8742 15.4557 3.98272 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 991 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.3946 15.4557 3.98272 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.0772 15.4557 3.98272 0.31955 protocols.relax.FastRelax: CMD: min -72.2259 15.6736 3.63727 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.2259 15.6736 3.63727 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8972 15.6736 3.63727 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.0898 15.6736 3.63727 0.55 protocols.relax.FastRelax: CMD: min -76.0666 16.0004 3.50949 0.55 protocols.relax.FastRelax: MRP: 0 -76.0666 -76.0666 16.0004 3.50949 protocols.relax.FastRelax: CMD: accept_to_best -76.0666 16.0004 3.50949 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.0666 16.0004 3.50949 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.0666 16.0004 3.50949 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.438 16.0004 3.50949 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1011 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.22 16.0004 3.50949 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.593 16.0004 3.50949 0.02805 protocols.relax.FastRelax: CMD: min -111.009 15.9317 3.64167 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.009 15.9317 3.64167 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.7237 15.9317 3.64167 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1013 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.8005 15.9317 3.64167 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.9665 15.9317 3.64167 0.154 protocols.relax.FastRelax: CMD: min -100.874 15.9743 3.5586 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.874 15.9743 3.5586 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4136 15.9743 3.5586 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 960 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.4136 15.9743 3.5586 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.5888 15.9743 3.5586 0.31955 protocols.relax.FastRelax: CMD: min -91.0995 15.9709 3.52891 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.0995 15.9709 3.52891 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4663 15.9709 3.52891 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 952 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.4663 15.9709 3.52891 0.55 protocols.relax.FastRelax: CMD: min -79.1217 16.0102 3.51178 0.55 protocols.relax.FastRelax: MRP: 1 -79.1217 -79.1217 16.0102 3.51178 protocols.relax.FastRelax: CMD: accept_to_best -79.1217 16.0102 3.51178 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.1217 16.0102 3.51178 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.1217 16.0102 3.51178 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -108.908 16.0102 3.51178 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 999 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.492 16.0102 3.51178 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -109.859 16.0102 3.51178 0.02805 protocols.relax.FastRelax: CMD: min -121.669 16.0224 3.38777 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -121.669 16.0224 3.38777 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -97.0927 16.0224 3.38777 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 999 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.9449 16.0224 3.38777 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.3994 16.0224 3.38777 0.154 protocols.relax.FastRelax: CMD: min -104.966 16.0236 3.42609 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.966 16.0236 3.42609 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.33 16.0236 3.42609 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 948 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.5703 16.0236 3.42609 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.4625 16.0236 3.42609 0.31955 protocols.relax.FastRelax: CMD: min -91.8885 16.1381 3.29997 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -91.8885 16.1381 3.29997 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -75.2245 16.1381 3.29997 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 990 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.2537 16.1381 3.29997 0.55 protocols.relax.FastRelax: CMD: min -80.8856 16.2145 3.49878 0.55 protocols.relax.FastRelax: MRP: 2 -80.8856 -80.8856 16.2145 3.49878 protocols.relax.FastRelax: CMD: accept_to_best -80.8856 16.2145 3.49878 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.8856 16.2145 3.49878 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.8856 16.2145 3.49878 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -110.4 16.2145 3.49878 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 987 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.036 16.2145 3.49878 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.622 16.2145 3.49878 0.02805 protocols.relax.FastRelax: CMD: min -113.143 16.1147 3.64613 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.143 16.1147 3.64613 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.608 16.1147 3.64613 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 988 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.399 16.1147 3.64613 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.5332 16.1147 3.64613 0.154 protocols.relax.FastRelax: CMD: min -104.056 16.1688 3.56769 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.056 16.1688 3.56769 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5676 16.1688 3.56769 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 984 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.5676 16.1688 3.56769 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7406 16.1688 3.56769 0.31955 protocols.relax.FastRelax: CMD: min -94.0534 16.2016 3.47849 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.0534 16.2016 3.47849 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.629 16.2016 3.47849 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 922 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.629 16.2016 3.47849 0.55 protocols.relax.FastRelax: CMD: min -80.8341 16.2128 3.49278 0.55 protocols.relax.FastRelax: MRP: 3 -80.8341 -80.8856 16.2145 3.49878 protocols.relax.FastRelax: CMD: accept_to_best -80.8341 16.2128 3.49278 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.8341 16.2128 3.49278 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.8341 16.2128 3.49278 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -110.354 16.2128 3.49278 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 987 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.047 16.2128 3.49278 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.633 16.2128 3.49278 0.02805 protocols.relax.FastRelax: CMD: min -113.18 16.1146 3.64089 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.18 16.1146 3.64089 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.7524 16.1146 3.64089 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 990 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.543 16.1146 3.64089 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.6837 16.1146 3.64089 0.154 protocols.relax.FastRelax: CMD: min -104.07 16.1674 3.56324 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.07 16.1674 3.56324 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5665 16.1674 3.56324 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 986 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.5665 16.1674 3.56324 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7383 16.1674 3.56324 0.31955 protocols.relax.FastRelax: CMD: min -94.0747 16.2017 3.48056 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.0747 16.2017 3.48056 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6486 16.2017 3.48056 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 923 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.6486 16.2017 3.48056 0.55 protocols.relax.FastRelax: CMD: min -80.8345 16.2127 3.49274 0.55 protocols.relax.FastRelax: MRP: 4 -80.8345 -80.8856 16.2145 3.49878 protocols.relax.FastRelax: CMD: accept_to_best -80.8345 16.2127 3.49274 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.8345 16.2127 3.49274 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_38.pdb protocols.relax.FastRelax: CMD: repeat 29021.6 11.0219 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 29021.6 11.0219 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3677.23 11.0219 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1174 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.7752 11.0219 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -4.52208 11.0219 0 0.02805 protocols.relax.FastRelax: CMD: min -68.506 12.8573 4.04465 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -68.506 12.8573 4.04465 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2248 12.8573 4.04465 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1090 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.3707 12.8573 4.04465 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6891 12.8573 4.04465 0.154 protocols.relax.FastRelax: CMD: min -80.5523 13.8762 5.97825 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.5523 13.8762 5.97825 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.2234 13.8762 5.97825 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1187 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.4254 13.8762 5.97825 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.115 13.8762 5.97825 0.31955 protocols.relax.FastRelax: CMD: min -63.7869 13.8516 5.95178 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7869 13.8516 5.95178 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0147 13.8516 5.95178 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1172 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.0423 13.8516 5.95178 0.55 protocols.relax.FastRelax: CMD: min -51.8754 13.9374 6.03521 0.55 protocols.relax.FastRelax: MRP: 0 -51.8754 -51.8754 13.9374 6.03521 protocols.relax.FastRelax: CMD: accept_to_best -51.8754 13.9374 6.03521 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.8754 13.9374 6.03521 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.8754 13.9374 6.03521 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.604 13.9374 6.03521 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1233 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.6732 13.9374 6.03521 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6756 13.9374 6.03521 0.02805 protocols.relax.FastRelax: CMD: min -110.696 14.1581 6.53612 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.696 14.1581 6.53612 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3308 14.1581 6.53612 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1209 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8885 14.1581 6.53612 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5543 14.1581 6.53612 0.154 protocols.relax.FastRelax: CMD: min -90.6875 14.0636 6.34746 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.6875 14.0636 6.34746 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4441 14.0636 6.34746 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1191 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5413 14.0636 6.34746 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1934 14.0636 6.34746 0.31955 protocols.relax.FastRelax: CMD: min -72.8807 14.0548 6.35115 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8807 14.0548 6.35115 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4953 14.0548 6.35115 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1185 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.6533 14.0548 6.35115 0.55 protocols.relax.FastRelax: CMD: min -81.6418 14.004 6.47382 0.55 protocols.relax.FastRelax: MRP: 1 -81.6418 -81.6418 14.004 6.47382 protocols.relax.FastRelax: CMD: accept_to_best -81.6418 14.004 6.47382 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.6418 14.004 6.47382 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.6418 14.004 6.47382 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -113.053 14.004 6.47382 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1273 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.986 14.004 6.47382 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -116.362 14.004 6.47382 0.02805 protocols.relax.FastRelax: CMD: min -131.172 14.2167 6.81535 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -131.172 14.2167 6.81535 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2284 14.2167 6.81535 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1223 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.249 14.2167 6.81535 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.2465 14.2167 6.81535 0.154 protocols.relax.FastRelax: CMD: min -112.552 14.1448 6.77195 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -112.552 14.1448 6.77195 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.5953 14.1448 6.77195 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1166 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.7768 14.1448 6.77195 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.4458 14.1448 6.77195 0.31955 protocols.relax.FastRelax: CMD: min -95.762 14.1281 6.77671 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -95.762 14.1281 6.77671 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9392 14.1281 6.77671 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1151 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.2085 14.1281 6.77671 0.55 protocols.relax.FastRelax: CMD: min -84.49 14.0019 6.52272 0.55 protocols.relax.FastRelax: MRP: 2 -84.49 -84.49 14.0019 6.52272 protocols.relax.FastRelax: CMD: accept_to_best -84.49 14.0019 6.52272 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.49 14.0019 6.52272 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.49 14.0019 6.52272 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.209 14.0019 6.52272 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1153 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -118.766 14.0019 6.52272 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -118.189 14.0019 6.52272 0.02805 protocols.relax.FastRelax: CMD: min -123.494 14.0643 6.48648 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -123.494 14.0643 6.48648 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.0023 14.0643 6.48648 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1185 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.657 14.0643 6.48648 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -104.471 14.0643 6.48648 0.154 protocols.relax.FastRelax: CMD: min -111.542 14.0843 6.60729 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -111.542 14.0843 6.60729 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -97.0327 14.0843 6.60729 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1173 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.5338 14.0843 6.60729 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -96.3273 14.0843 6.60729 0.31955 protocols.relax.FastRelax: CMD: min -98.8782 14.0385 6.58315 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -98.8782 14.0385 6.58315 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0921 14.0385 6.58315 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1118 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.1132 14.0385 6.58315 0.55 protocols.relax.FastRelax: CMD: min -84.7456 13.9906 6.51086 0.55 protocols.relax.FastRelax: MRP: 3 -84.7456 -84.7456 13.9906 6.51086 protocols.relax.FastRelax: CMD: accept_to_best -84.7456 13.9906 6.51086 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.7456 13.9906 6.51086 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.7456 13.9906 6.51086 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.369 13.9906 6.51086 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1157 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -118.706 13.9906 6.51086 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -118.137 13.9906 6.51086 0.02805 protocols.relax.FastRelax: CMD: min -123.782 14.0594 6.48925 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -123.782 14.0594 6.48925 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.3529 14.0594 6.48925 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1190 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.78 14.0594 6.48925 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -105.667 14.0594 6.48925 0.154 protocols.relax.FastRelax: CMD: min -111.292 14.0616 6.60339 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -111.292 14.0616 6.60339 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -96.7942 14.0616 6.60339 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1119 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.194 14.0616 6.60339 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -95.9864 14.0616 6.60339 0.31955 protocols.relax.FastRelax: CMD: min -99.2184 14.0241 6.58349 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -99.2184 14.0241 6.58349 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.4336 14.0241 6.58349 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1117 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.4393 14.0241 6.58349 0.55 protocols.relax.FastRelax: CMD: min -84.7482 13.9912 6.51218 0.55 protocols.relax.FastRelax: MRP: 4 -84.7482 -84.7482 13.9912 6.51218 protocols.relax.FastRelax: CMD: accept_to_best -84.7482 13.9912 6.51218 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.7482 13.9912 6.51218 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_4.pdb protocols.relax.FastRelax: CMD: repeat 26311.9 11.3295 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 26311.9 11.3295 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3171.62 11.3295 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1027 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 17.1874 11.3295 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 30.4874 11.3295 0 0.02805 protocols.relax.FastRelax: CMD: min -69.4728 11.8806 4.3586 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4728 11.8806 4.3586 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -37.6263 11.8806 4.3586 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 929 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.9719 11.8806 4.3586 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1417 11.8806 4.3586 0.154 protocols.relax.FastRelax: CMD: min -84.1058 12.4533 5.05607 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.1058 12.4533 5.05607 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.5053 12.4533 5.05607 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 934 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.3635 12.4533 5.05607 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.104 12.4533 5.05607 0.31955 protocols.relax.FastRelax: CMD: min -70.0294 12.5197 5.20054 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.0294 12.5197 5.20054 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.6766 12.5197 5.20054 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 927 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.3059 12.5197 5.20054 0.55 protocols.relax.FastRelax: CMD: min -98.9215 13.8477 7.51404 0.55 protocols.relax.FastRelax: MRP: 0 -98.9215 -98.9215 13.8477 7.51404 protocols.relax.FastRelax: CMD: accept_to_best -98.9215 13.8477 7.51404 0.55 protocols.relax.FastRelax: CMD: endrepeat -98.9215 13.8477 7.51404 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -98.9215 13.8477 7.51404 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -129.103 13.8477 7.51404 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 961 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -133.552 13.8477 7.51404 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -131.831 13.8477 7.51404 0.02805 protocols.relax.FastRelax: CMD: min -147.241 14.085 8.14942 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -147.241 14.085 8.14942 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -112 14.085 8.14942 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 953 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.369 14.085 8.14942 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -113.488 14.085 8.14942 0.154 protocols.relax.FastRelax: CMD: min -131.519 13.923 7.88456 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -131.519 13.923 7.88456 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -116.948 13.923 7.88456 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 904 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.953 13.923 7.88456 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -115.805 13.923 7.88456 0.31955 protocols.relax.FastRelax: CMD: min -118.186 13.8997 7.90087 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -118.186 13.8997 7.90087 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -101.163 13.8997 7.90087 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 902 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.25 13.8997 7.90087 0.55 protocols.relax.FastRelax: CMD: min -113.278 14.2736 8.88244 0.55 protocols.relax.FastRelax: MRP: 1 -113.278 -113.278 14.2736 8.88244 protocols.relax.FastRelax: CMD: accept_to_best -113.278 14.2736 8.88244 0.55 protocols.relax.FastRelax: CMD: endrepeat -113.278 14.2736 8.88244 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -113.278 14.2736 8.88244 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -142.915 14.2736 8.88244 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1063 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -146.901 14.2736 8.88244 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -144.856 14.2736 8.88244 0.02805 protocols.relax.FastRelax: CMD: min -155.849 14.4018 9.07963 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -155.849 14.4018 9.07963 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -125.65 14.4018 9.07963 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1002 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -132.963 14.4018 9.07963 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -131.514 14.4018 9.07963 0.154 protocols.relax.FastRelax: CMD: min -139.187 14.3352 8.92379 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -139.187 14.3352 8.92379 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -123.482 14.3352 8.92379 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1002 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.585 14.3352 8.92379 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -122.358 14.3352 8.92379 0.31955 protocols.relax.FastRelax: CMD: min -128.161 14.3256 8.86536 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -128.161 14.3256 8.86536 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -112.992 14.3256 8.86536 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 980 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.141 14.3256 8.86536 0.55 protocols.relax.FastRelax: CMD: min -120.635 14.3867 9.01822 0.55 protocols.relax.FastRelax: MRP: 2 -120.635 -120.635 14.3867 9.01822 protocols.relax.FastRelax: CMD: accept_to_best -120.635 14.3867 9.01822 0.55 protocols.relax.FastRelax: CMD: endrepeat -120.635 14.3867 9.01822 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -120.635 14.3867 9.01822 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -150.23 14.3867 9.01822 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1032 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -151.426 14.3867 9.01822 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -150.792 14.3867 9.01822 0.02805 protocols.relax.FastRelax: CMD: min -159.895 14.4591 9.21663 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -159.895 14.4591 9.21663 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -131.153 14.4591 9.21663 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 988 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -134.357 14.4591 9.21663 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -132.681 14.4591 9.21663 0.154 protocols.relax.FastRelax: CMD: min -143.436 14.4413 9.10495 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -143.436 14.4413 9.10495 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -125.589 14.4413 9.10495 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 951 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -126.284 14.4413 9.10495 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -124.886 14.4413 9.10495 0.31955 protocols.relax.FastRelax: CMD: min -132.426 14.4134 9.07165 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -132.426 14.4134 9.07165 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -114.747 14.4134 9.07165 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 953 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.748 14.4134 9.07165 0.55 protocols.relax.FastRelax: CMD: min -120.631 14.3513 8.99688 0.55 protocols.relax.FastRelax: MRP: 3 -120.631 -120.635 14.3867 9.01822 protocols.relax.FastRelax: CMD: accept_to_best -120.631 14.3513 8.99688 0.55 protocols.relax.FastRelax: CMD: endrepeat -120.631 14.3513 8.99688 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -120.631 14.3513 8.99688 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -150.289 14.3513 8.99688 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1033 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -151.564 14.3513 8.99688 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -150.629 14.3513 8.99688 0.02805 protocols.relax.FastRelax: CMD: min -165.018 14.3755 9.0551 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -165.018 14.3755 9.0551 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -137.46 14.3755 9.0551 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 998 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -140.041 14.3755 9.0551 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -138.367 14.3755 9.0551 0.154 protocols.relax.FastRelax: CMD: min -146.916 14.3703 8.98822 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -146.916 14.3703 8.98822 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -130.293 14.3703 8.98822 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 985 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -130.37 14.3703 8.98822 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -129.063 14.3703 8.98822 0.31955 protocols.relax.FastRelax: CMD: min -129.655 14.3456 8.96273 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -129.655 14.3456 8.96273 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -106.002 14.3456 8.96273 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 970 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.103 14.3456 8.96273 0.55 protocols.relax.FastRelax: CMD: min -120.311 14.3676 9.02708 0.55 protocols.relax.FastRelax: MRP: 4 -120.311 -120.635 14.3867 9.01822 protocols.relax.FastRelax: CMD: accept_to_best -120.311 14.3676 9.02708 0.55 protocols.relax.FastRelax: CMD: endrepeat -120.311 14.3676 9.02708 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_37.pdb protocols.relax.FastRelax: CMD: repeat 28212.5 14.7021 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 28212.5 14.7021 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3576 14.7021 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1372 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.858566 14.7021 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 12.6307 14.7021 0 0.02805 protocols.relax.FastRelax: CMD: min -107.405 13.3963 5.18965 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.405 13.3963 5.18965 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.4402 13.3963 5.18965 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1264 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.9901 13.3963 5.18965 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.0199 13.3963 5.18965 0.154 protocols.relax.FastRelax: CMD: min -95.3914 13.3121 5.34569 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.3914 13.3121 5.34569 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6728 13.3121 5.34569 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1226 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.8694 13.3121 5.34569 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1766 13.3121 5.34569 0.31955 protocols.relax.FastRelax: CMD: min -77.9995 13.4367 5.42671 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9995 13.4367 5.42671 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.9176 13.4367 5.42671 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1214 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.2178 13.4367 5.42671 0.55 protocols.relax.FastRelax: CMD: min -89.771 14.1326 6.69703 0.55 protocols.relax.FastRelax: MRP: 0 -89.771 -89.771 14.1326 6.69703 protocols.relax.FastRelax: CMD: accept_to_best -89.771 14.1326 6.69703 0.55 protocols.relax.FastRelax: CMD: endrepeat -89.771 14.1326 6.69703 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -89.771 14.1326 6.69703 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -120.446 14.1326 6.69703 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1137 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.924 14.1326 6.69703 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -121.533 14.1326 6.69703 0.02805 protocols.relax.FastRelax: CMD: min -125.085 14.0705 6.545 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.085 14.0705 6.545 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -110.034 14.0705 6.545 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1080 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.184 14.0705 6.545 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -110.236 14.0705 6.545 0.154 protocols.relax.FastRelax: CMD: min -119.509 14.0989 6.6482 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.509 14.0989 6.6482 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -101.662 14.0989 6.6482 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1290 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.677 14.0989 6.6482 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -100.273 14.0989 6.6482 0.31955 protocols.relax.FastRelax: CMD: min -104.372 14.1457 6.69409 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -104.372 14.1457 6.69409 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -85.3618 14.1457 6.69409 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1043 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.3805 14.1457 6.69409 0.55 protocols.relax.FastRelax: CMD: min -93.0287 14.0779 6.63456 0.55 protocols.relax.FastRelax: MRP: 1 -93.0287 -93.0287 14.0779 6.63456 protocols.relax.FastRelax: CMD: accept_to_best -93.0287 14.0779 6.63456 0.55 protocols.relax.FastRelax: CMD: endrepeat -93.0287 14.0779 6.63456 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -93.0287 14.0779 6.63456 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -124.118 14.0779 6.63456 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1113 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -124.892 14.0779 6.63456 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.508 14.0779 6.63456 0.02805 protocols.relax.FastRelax: CMD: min -147.848 13.7779 6.1808 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -147.848 13.7779 6.1808 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.5552 13.7779 6.1808 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1227 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.598 13.7779 6.1808 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.3948 13.7779 6.1808 0.154 protocols.relax.FastRelax: CMD: min -125.623 13.9784 6.4674 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -125.623 13.9784 6.4674 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -107.588 13.9784 6.4674 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1261 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.978 13.9784 6.4674 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -106.569 13.9784 6.4674 0.31955 protocols.relax.FastRelax: CMD: min -107.571 13.993 6.48734 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.571 13.993 6.48734 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -82.4122 13.993 6.48734 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1242 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.4437 13.993 6.48734 0.55 protocols.relax.FastRelax: CMD: min -98.6942 14.11 6.84202 0.55 protocols.relax.FastRelax: MRP: 2 -98.6942 -98.6942 14.11 6.84202 protocols.relax.FastRelax: CMD: accept_to_best -98.6942 14.11 6.84202 0.55 protocols.relax.FastRelax: CMD: endrepeat -98.6942 14.11 6.84202 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -98.6942 14.11 6.84202 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -130.643 14.11 6.84202 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1108 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -131.606 14.11 6.84202 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -131.205 14.11 6.84202 0.02805 protocols.relax.FastRelax: CMD: min -155.697 13.8942 6.51644 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -155.697 13.8942 6.51644 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -103.106 13.8942 6.51644 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1273 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.509 13.8942 6.51644 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -103.089 13.8942 6.51644 0.154 protocols.relax.FastRelax: CMD: min -130.249 14.1245 6.96601 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -130.249 14.1245 6.96601 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -108.921 14.1245 6.96601 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1261 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.021 14.1245 6.96601 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -107.346 14.1245 6.96601 0.31955 protocols.relax.FastRelax: CMD: min -110.834 14.1617 7.07309 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -110.834 14.1617 7.07309 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -89.1291 14.1617 7.07309 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1121 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.4633 14.1617 7.07309 0.55 protocols.relax.FastRelax: CMD: min -100.107 14.2918 7.39625 0.55 protocols.relax.FastRelax: MRP: 3 -100.107 -100.107 14.2918 7.39625 protocols.relax.FastRelax: CMD: accept_to_best -100.107 14.2918 7.39625 0.55 protocols.relax.FastRelax: CMD: endrepeat -100.107 14.2918 7.39625 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -100.107 14.2918 7.39625 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -133.444 14.2918 7.39625 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1283 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -134.285 14.2918 7.39625 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -133.861 14.2918 7.39625 0.02805 protocols.relax.FastRelax: CMD: min -152.6 14.139 7.09775 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -152.6 14.139 7.09775 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -108.922 14.139 7.09775 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1283 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.479 14.139 7.09775 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.741 14.139 7.09775 0.154 protocols.relax.FastRelax: CMD: min -129.418 14.2235 7.26043 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -129.418 14.2235 7.26043 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -110.271 14.2235 7.26043 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1257 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.944 14.2235 7.26043 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -109.437 14.2235 7.26043 0.31955 protocols.relax.FastRelax: CMD: min -112.675 14.2396 7.28527 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -112.675 14.2396 7.28527 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -92.617 14.2396 7.28527 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1123 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.758 14.2396 7.28527 0.55 protocols.relax.FastRelax: CMD: min -99.0641 14.2625 7.38247 0.55 protocols.relax.FastRelax: MRP: 4 -99.0641 -100.107 14.2918 7.39625 protocols.relax.FastRelax: CMD: accept_to_best -99.0641 14.2625 7.38247 0.55 protocols.relax.FastRelax: CMD: endrepeat -99.0641 14.2625 7.38247 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_45.pdb protocols.relax.FastRelax: CMD: repeat 23070.4 10.7414 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 23070.4 10.7414 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3848.15 10.7414 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 15.4204 10.7414 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 25.2795 10.7414 0 0.02805 protocols.relax.FastRelax: CMD: min -63.6291 10.6949 3.4493 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.6291 10.6949 3.4493 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 2.22209 10.6949 3.4493 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1018 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.2697 10.6949 3.4493 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -7.86533 10.6949 3.4493 0.154 protocols.relax.FastRelax: CMD: min -64.4946 9.22856 5.81886 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.4946 9.22856 5.81886 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.281 9.22856 5.81886 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1011 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.1112 9.22856 5.81886 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7684 9.22856 5.81886 0.31955 protocols.relax.FastRelax: CMD: min -50.7364 9.03899 6.3146 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.7364 9.03899 6.3146 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.903 9.03899 6.3146 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 987 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.1714 9.03899 6.3146 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.90735e-06 Deriv= -0.0624296 Finite Diff= 0.000736043 protocols.relax.FastRelax: CMD: min -63.5119 12.6854 13.0335 0.55 protocols.relax.FastRelax: MRP: 0 -63.5119 -63.5119 12.6854 13.0335 protocols.relax.FastRelax: CMD: accept_to_best -63.5119 12.6854 13.0335 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.5119 12.6854 13.0335 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5119 12.6854 13.0335 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.1075 12.6854 13.0335 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1138 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.7783 12.6854 13.0335 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.0179 12.6854 13.0335 0.02805 protocols.relax.FastRelax: CMD: min -99.381 12.703 13.0613 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.381 12.703 13.0613 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -84.8353 12.703 13.0613 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1121 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.7539 12.703 13.0613 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -90.2329 12.703 13.0613 0.154 protocols.relax.FastRelax: CMD: min -90.4716 12.7195 13.0818 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.4716 12.7195 13.0818 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.863 12.7195 13.0818 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1111 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.8706 12.7195 13.0818 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.1129 12.7195 13.0818 0.31955 protocols.relax.FastRelax: CMD: min -81.0635 12.8556 13.2715 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.0635 12.8556 13.2715 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7262 12.8556 13.2715 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1096 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.9061 12.8556 13.2715 0.55 protocols.relax.FastRelax: CMD: min -87.8738 13.4344 13.5818 0.55 protocols.relax.FastRelax: MRP: 1 -87.8738 -87.8738 13.4344 13.5818 protocols.relax.FastRelax: CMD: accept_to_best -87.8738 13.4344 13.5818 0.55 protocols.relax.FastRelax: CMD: endrepeat -87.8738 13.4344 13.5818 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -87.8738 13.4344 13.5818 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -118.036 13.4344 13.5818 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1111 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.532 13.4344 13.5818 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.908 13.4344 13.5818 0.02805 protocols.relax.FastRelax: CMD: min -144.714 13.4555 13.764 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -144.714 13.4555 13.764 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.3201 13.4555 13.764 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1139 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.8653 13.4555 13.764 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.8443 13.4555 13.764 0.154 protocols.relax.FastRelax: CMD: min -119.647 13.4592 13.7188 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.647 13.4592 13.7188 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -99.5315 13.4592 13.7188 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1135 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.7822 13.4592 13.7188 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2107 13.4592 13.7188 0.31955 protocols.relax.FastRelax: CMD: min -99.8738 13.428 13.6964 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -99.8738 13.428 13.6964 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5896 13.428 13.6964 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1124 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6052 13.428 13.6964 0.55 protocols.relax.FastRelax: CMD: min -92.1793 13.4352 13.7171 0.55 protocols.relax.FastRelax: MRP: 2 -92.1793 -92.1793 13.4352 13.7171 protocols.relax.FastRelax: CMD: accept_to_best -92.1793 13.4352 13.7171 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.1793 13.4352 13.7171 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -92.1793 13.4352 13.7171 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -123.868 13.4352 13.7171 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1124 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.324 13.4352 13.7171 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -126.7 13.4352 13.7171 0.02805 protocols.relax.FastRelax: CMD: min -145.148 13.4565 13.7409 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -145.148 13.4565 13.7409 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.3401 13.4565 13.7409 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1180 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.618 13.4565 13.7409 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -97.5747 13.4565 13.7409 0.154 protocols.relax.FastRelax: CMD: min -123.015 13.3864 13.693 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -123.015 13.3864 13.693 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -104.209 13.3864 13.693 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1185 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.662 13.3864 13.693 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -103.205 13.3864 13.693 0.31955 protocols.relax.FastRelax: CMD: min -104.451 13.3632 13.6734 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -104.451 13.3632 13.6734 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.876 13.3632 13.6734 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1138 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.871 13.3632 13.6734 0.55 protocols.relax.FastRelax: CMD: min -94.1814 13.4857 13.6196 0.55 protocols.relax.FastRelax: MRP: 3 -94.1814 -94.1814 13.4857 13.6196 protocols.relax.FastRelax: CMD: accept_to_best -94.1814 13.4857 13.6196 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.1814 13.4857 13.6196 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.1814 13.4857 13.6196 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.876 13.4857 13.6196 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1121 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.58 13.4857 13.6196 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -128.074 13.4857 13.6196 0.02805 protocols.relax.FastRelax: CMD: min -144.699 13.5266 13.7408 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -144.699 13.5266 13.7408 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.4322 13.5266 13.7408 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1183 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.0006 13.5266 13.7408 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -91.6966 13.5266 13.7408 0.154 protocols.relax.FastRelax: CMD: min -122.444 13.5124 13.7176 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -122.444 13.5124 13.7176 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -102.714 13.5124 13.7176 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1174 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.164 13.5124 13.7176 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -101.685 13.5124 13.7176 0.31955 protocols.relax.FastRelax: CMD: min -106.469 13.5244 13.7272 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -106.469 13.5244 13.7272 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9703 13.5244 13.7272 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1171 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.0072 13.5244 13.7272 0.55 protocols.relax.FastRelax: CMD: min -92.2144 13.4488 13.7216 0.55 protocols.relax.FastRelax: MRP: 4 -92.2144 -94.1814 13.4857 13.6196 protocols.relax.FastRelax: CMD: accept_to_best -92.2144 13.4488 13.7216 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.2144 13.4488 13.7216 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_39.pdb protocols.relax.FastRelax: CMD: repeat 22229.7 13.1977 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22229.7 13.1977 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3659.88 13.1977 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1073 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 26.0616 13.1977 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 35.0374 13.1977 0 0.02805 protocols.relax.FastRelax: CMD: min -72.002 14.0516 3.77678 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.002 14.0516 3.77678 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -5.5628 14.0516 3.77678 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1074 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.9746 14.0516 3.77678 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -16.0916 14.0516 3.77678 0.154 protocols.relax.FastRelax: CMD: min -44.9556 14.1384 3.95068 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -44.9556 14.1384 3.95068 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4236 14.1384 3.95068 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1089 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.2297 14.1384 3.95068 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2445 14.1384 3.95068 0.31955 protocols.relax.FastRelax: CMD: min -50.8787 13.8363 3.88529 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8787 13.8363 3.88529 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.3815 13.8363 3.88529 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1061 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0482 13.8363 3.88529 0.55 protocols.relax.FastRelax: CMD: min -49.0762 13.7672 3.99156 0.55 protocols.relax.FastRelax: MRP: 0 -49.0762 -49.0762 13.7672 3.99156 protocols.relax.FastRelax: CMD: accept_to_best -49.0762 13.7672 3.99156 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.0762 13.7672 3.99156 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.0762 13.7672 3.99156 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3633 13.7672 3.99156 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1178 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.9505 13.7672 3.99156 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.3957 13.7672 3.99156 0.02805 protocols.relax.FastRelax: CMD: min -109.07 13.7534 4.11821 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.07 13.7534 4.11821 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4777 13.7534 4.11821 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1149 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.6458 13.7534 4.11821 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6336 13.7534 4.11821 0.154 protocols.relax.FastRelax: CMD: min -88.7828 13.7845 4.03941 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.7828 13.7845 4.03941 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.4534 13.7845 4.03941 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1109 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.6688 13.7845 4.03941 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9881 13.7845 4.03941 0.31955 protocols.relax.FastRelax: CMD: min -70.4207 13.8471 3.98938 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4207 13.8471 3.98938 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2437 13.8471 3.98938 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1051 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.2171 13.8471 3.98938 0.55 protocols.relax.FastRelax: CMD: min -63.3994 13.7658 4.04624 0.55 protocols.relax.FastRelax: MRP: 1 -63.3994 -63.3994 13.7658 4.04624 protocols.relax.FastRelax: CMD: accept_to_best -63.3994 13.7658 4.04624 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.3994 13.7658 4.04624 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3994 13.7658 4.04624 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.473 13.7658 4.04624 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1195 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.184 13.7658 4.04624 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.273 13.7658 4.04624 0.02805 protocols.relax.FastRelax: CMD: min -119.08 13.6835 3.98073 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.08 13.6835 3.98073 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8134 13.6835 3.98073 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1100 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0536 13.6835 3.98073 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.7016 13.6835 3.98073 0.154 protocols.relax.FastRelax: CMD: min -95.001 13.7404 4.02448 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.001 13.7404 4.02448 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5666 13.7404 4.02448 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1058 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.7272 13.7404 4.02448 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0577 13.7404 4.02448 0.31955 protocols.relax.FastRelax: CMD: min -74.9084 13.7913 3.95839 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9084 13.7913 3.95839 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.0839 13.7913 3.95839 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1022 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.1073 13.7913 3.95839 0.55 protocols.relax.FastRelax: CMD: min -62.6645 13.7631 4.03364 0.55 protocols.relax.FastRelax: MRP: 2 -62.6645 -63.3994 13.7658 4.04624 protocols.relax.FastRelax: CMD: accept_to_best -62.6645 13.7631 4.03364 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.6645 13.7631 4.03364 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.6645 13.7631 4.03364 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.29 13.7631 4.03364 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1220 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.457 13.7631 4.03364 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -102.779 13.7631 4.03364 0.02805 protocols.relax.FastRelax: CMD: min -115.929 13.6183 4.1011 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.929 13.6183 4.1011 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8802 13.6183 4.1011 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1076 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.2048 13.6183 4.1011 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9524 13.6183 4.1011 0.154 protocols.relax.FastRelax: CMD: min -96.3269 13.7217 4.0338 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.3269 13.7217 4.0338 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.9339 13.7217 4.0338 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1074 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.9405 13.7217 4.0338 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.3328 13.7217 4.0338 0.31955 protocols.relax.FastRelax: CMD: min -75.7235 13.7148 4.00084 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7235 13.7148 4.00084 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.973 13.7148 4.00084 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1055 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.1832 13.7148 4.00084 0.55 protocols.relax.FastRelax: CMD: min -64.9803 13.669 4.22234 0.55 protocols.relax.FastRelax: MRP: 3 -64.9803 -64.9803 13.669 4.22234 protocols.relax.FastRelax: CMD: accept_to_best -64.9803 13.669 4.22234 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.9803 13.669 4.22234 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9803 13.669 4.22234 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.877 13.669 4.22234 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1228 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.285 13.669 4.22234 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.617 13.669 4.22234 0.02805 protocols.relax.FastRelax: CMD: min -127.351 13.6415 4.06637 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.351 13.6415 4.06637 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2514 13.6415 4.06637 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1166 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.2919 13.6415 4.06637 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1891 13.6415 4.06637 0.154 protocols.relax.FastRelax: CMD: min -98.5845 13.6875 4.05384 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.5845 13.6875 4.05384 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7028 13.6875 4.05384 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1066 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.8204 13.6875 4.05384 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9462 13.6875 4.05384 0.31955 protocols.relax.FastRelax: CMD: min -75.1515 13.6805 4.09443 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.1515 13.6805 4.09443 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8786 13.6805 4.09443 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1048 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.8799 13.6805 4.09443 0.55 protocols.relax.FastRelax: CMD: min -66.879 13.6778 4.19654 0.55 protocols.relax.FastRelax: MRP: 4 -66.879 -66.879 13.6778 4.19654 protocols.relax.FastRelax: CMD: accept_to_best -66.879 13.6778 4.19654 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.879 13.6778 4.19654 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_12.pdb protocols.relax.FastRelax: CMD: repeat 20672.4 14.6605 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 20672.4 14.6605 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3690.04 14.6605 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1175 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -1.70716 14.6605 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 0.883531 14.6605 0 0.02805 protocols.relax.FastRelax: CMD: min -80.7303 14.859 4.52092 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.7303 14.859 4.52092 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.941 14.859 4.52092 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1108 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.2807 14.859 4.52092 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.8704 14.859 4.52092 0.154 protocols.relax.FastRelax: CMD: min -86.8219 14.7284 3.89908 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.8219 14.7284 3.89908 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3292 14.7284 3.89908 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1079 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.4114 14.7284 3.89908 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2767 14.7284 3.89908 0.31955 protocols.relax.FastRelax: CMD: min -72.1874 14.7584 3.90129 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.1874 14.7584 3.90129 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.322 14.7584 3.90129 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1071 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.1243 14.7584 3.90129 0.55 protocols.relax.FastRelax: CMD: min -77.0756 14.896 4.39841 0.55 protocols.relax.FastRelax: MRP: 0 -77.0756 -77.0756 14.896 4.39841 protocols.relax.FastRelax: CMD: accept_to_best -77.0756 14.896 4.39841 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.0756 14.896 4.39841 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.0756 14.896 4.39841 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -104.45 14.896 4.39841 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1132 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.838 14.896 4.39841 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.336 14.896 4.39841 0.02805 protocols.relax.FastRelax: CMD: min -119.866 14.665 4.3686 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -119.866 14.665 4.3686 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9049 14.665 4.3686 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1065 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.6832 14.665 4.3686 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.4588 14.665 4.3686 0.154 protocols.relax.FastRelax: CMD: min -103.312 14.7798 4.45252 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -103.312 14.7798 4.45252 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -88.9575 14.7798 4.45252 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1058 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.0352 14.7798 4.45252 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9077 14.7798 4.45252 0.31955 protocols.relax.FastRelax: CMD: min -89.2079 14.8012 4.45406 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -89.2079 14.8012 4.45406 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.8461 14.8012 4.45406 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1050 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.8464 14.8012 4.45406 0.55 protocols.relax.FastRelax: CMD: min -82.8358 14.9689 4.69679 0.55 protocols.relax.FastRelax: MRP: 1 -82.8358 -82.8358 14.9689 4.69679 protocols.relax.FastRelax: CMD: accept_to_best -82.8358 14.9689 4.69679 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.8358 14.9689 4.69679 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8358 14.9689 4.69679 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -111.461 14.9689 4.69679 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1112 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -112.263 14.9689 4.69679 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.772 14.9689 4.69679 0.02805 protocols.relax.FastRelax: CMD: min -126.01 14.7237 4.69685 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.01 14.7237 4.69685 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -87.7454 14.7237 4.69685 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1068 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.1599 14.7237 4.69685 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -85.531 14.7237 4.69685 0.154 protocols.relax.FastRelax: CMD: min -108.869 14.8656 4.80863 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -108.869 14.8656 4.80863 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5268 14.8656 4.80863 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1064 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.5653 14.8656 4.80863 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.3592 14.8656 4.80863 0.31955 protocols.relax.FastRelax: CMD: min -93.1614 14.8902 4.8137 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -93.1614 14.8902 4.8137 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0776 14.8902 4.8137 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.1103 14.8902 4.8137 0.55 protocols.relax.FastRelax: CMD: min -83.6036 14.974 4.66922 0.55 protocols.relax.FastRelax: MRP: 2 -83.6036 -83.6036 14.974 4.66922 protocols.relax.FastRelax: CMD: accept_to_best -83.6036 14.974 4.66922 0.55 protocols.relax.FastRelax: CMD: endrepeat -83.6036 14.974 4.66922 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -83.6036 14.974 4.66922 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.377 14.974 4.66922 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1135 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -112.731 14.974 4.66922 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -112.376 14.974 4.66922 0.02805 protocols.relax.FastRelax: CMD: min -126.249 14.7262 4.66765 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.249 14.7262 4.66765 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -90.9051 14.7262 4.66765 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1076 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.2248 14.7262 4.66765 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.7904 14.7262 4.66765 0.154 protocols.relax.FastRelax: CMD: min -109.612 14.8663 4.80119 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.612 14.8663 4.80119 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -94.4242 14.8663 4.80119 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1062 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.4456 14.8663 4.80119 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -93.2509 14.8663 4.80119 0.31955 protocols.relax.FastRelax: CMD: min -94.7174 14.9016 4.81121 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7174 14.9016 4.81121 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7579 14.9016 4.81121 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1049 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7688 14.9016 4.81121 0.55 protocols.relax.FastRelax: CMD: min -83.5952 14.9758 4.68926 0.55 protocols.relax.FastRelax: MRP: 3 -83.5952 -83.6036 14.974 4.66922 protocols.relax.FastRelax: CMD: accept_to_best -83.5952 14.9758 4.68926 0.55 protocols.relax.FastRelax: CMD: endrepeat -83.5952 14.9758 4.68926 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -83.5952 14.9758 4.68926 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.405 14.9758 4.68926 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1135 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -112.282 14.9758 4.68926 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.927 14.9758 4.68926 0.02805 protocols.relax.FastRelax: CMD: min -122.95 14.786 4.52135 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.95 14.786 4.52135 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.394 14.786 4.52135 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1081 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.4188 14.786 4.52135 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -94.5652 14.786 4.52135 0.154 protocols.relax.FastRelax: CMD: min -109.186 14.8745 4.68559 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.186 14.8745 4.68559 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.3149 14.8745 4.68559 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1068 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.0084 14.8745 4.68559 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9157 14.8745 4.68559 0.31955 protocols.relax.FastRelax: CMD: min -94.9529 14.9083 4.71181 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9529 14.9083 4.71181 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.3612 14.9083 4.71181 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1050 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.3819 14.9083 4.71181 0.55 protocols.relax.FastRelax: CMD: min -85.1989 15.0326 4.78342 0.55 protocols.relax.FastRelax: MRP: 4 -85.1989 -85.1989 15.0326 4.78342 protocols.relax.FastRelax: CMD: accept_to_best -85.1989 15.0326 4.78342 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.1989 15.0326 4.78342 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_25.pdb protocols.relax.FastRelax: CMD: repeat 23509.3 15.4622 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 23509.3 15.4622 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4260.93 15.4622 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1064 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 20.7889 15.4622 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 26.7416 15.4622 0 0.02805 protocols.relax.FastRelax: CMD: min -61.2047 16.7432 4.06427 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -61.2047 16.7432 4.06427 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 9.69647 16.7432 4.06427 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1018 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.6748 16.7432 4.06427 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1419 16.7432 4.06427 0.154 protocols.relax.FastRelax: CMD: min -60.0545 17.3895 5.07329 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.0545 17.3895 5.07329 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.851 17.3895 5.07329 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1048 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.0758 17.3895 5.07329 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.5176 17.3895 5.07329 0.31955 protocols.relax.FastRelax: CMD: min -64.6908 16.903 5.25411 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.6908 16.903 5.25411 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.491 16.903 5.25411 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.5089 16.903 5.25411 0.55 protocols.relax.FastRelax: CMD: min -69.3858 16.9762 5.14016 0.55 protocols.relax.FastRelax: MRP: 0 -69.3858 -69.3858 16.9762 5.14016 protocols.relax.FastRelax: CMD: accept_to_best -69.3858 16.9762 5.14016 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.3858 16.9762 5.14016 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3858 16.9762 5.14016 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -104.131 16.9762 5.14016 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1174 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.139 16.9762 5.14016 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -108.531 16.9762 5.14016 0.02805 protocols.relax.FastRelax: CMD: min -139.405 16.675 5.39924 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.405 16.675 5.39924 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -91.2651 16.675 5.39924 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1258 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.7636 16.675 5.39924 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9864 16.675 5.39924 0.154 protocols.relax.FastRelax: CMD: min -113.475 16.8924 5.3418 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -113.475 16.8924 5.3418 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1538 16.8924 5.3418 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1232 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.6013 16.8924 5.3418 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.9638 16.8924 5.3418 0.31955 protocols.relax.FastRelax: CMD: min -94.0465 16.91 5.31919 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.0465 16.91 5.31919 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7809 16.91 5.31919 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1093 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.7821 16.91 5.31919 0.55 protocols.relax.FastRelax: CMD: min -84.2794 17.0569 5.47923 0.55 protocols.relax.FastRelax: MRP: 1 -84.2794 -84.2794 17.0569 5.47923 protocols.relax.FastRelax: CMD: accept_to_best -84.2794 17.0569 5.47923 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.2794 17.0569 5.47923 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.2794 17.0569 5.47923 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -120.967 17.0569 5.47923 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1113 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.451 17.0569 5.47923 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -126.605 17.0569 5.47923 0.02805 protocols.relax.FastRelax: CMD: min -132.956 16.8527 5.49119 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -132.956 16.8527 5.49119 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.6198 16.8527 5.49119 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1126 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.816 16.8527 5.49119 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -102.077 16.8527 5.49119 0.154 protocols.relax.FastRelax: CMD: min -116.734 17.0085 5.51269 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -116.734 17.0085 5.51269 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5024 17.0085 5.51269 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1057 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.9038 17.0085 5.51269 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.5019 17.0085 5.51269 0.31955 protocols.relax.FastRelax: CMD: min -100.56 17.0608 5.50829 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.56 17.0608 5.50829 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.3721 17.0608 5.50829 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1049 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.5408 17.0608 5.50829 0.55 protocols.relax.FastRelax: CMD: min -84.8601 17.057 5.48721 0.55 protocols.relax.FastRelax: MRP: 2 -84.8601 -84.8601 17.057 5.48721 protocols.relax.FastRelax: CMD: accept_to_best -84.8601 17.057 5.48721 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.8601 17.057 5.48721 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.8601 17.057 5.48721 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.517 17.057 5.48721 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1129 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.66 17.057 5.48721 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -126.809 17.057 5.48721 0.02805 protocols.relax.FastRelax: CMD: min -142.975 16.8598 5.51824 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -142.975 16.8598 5.51824 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.0425 16.8598 5.51824 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1270 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.796 16.8598 5.51824 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -101.41 16.8598 5.51824 0.154 protocols.relax.FastRelax: CMD: min -118.181 16.9951 5.55351 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -118.181 16.9951 5.55351 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -97.9244 16.9951 5.55351 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1141 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.3999 16.9951 5.55351 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -96.839 16.9951 5.55351 0.31955 protocols.relax.FastRelax: CMD: min -101.656 17.023 5.47165 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.656 17.023 5.47165 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0739 17.023 5.47165 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1061 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.1168 17.023 5.47165 0.55 protocols.relax.FastRelax: CMD: min -85.3252 17.0522 5.50442 0.55 protocols.relax.FastRelax: MRP: 3 -85.3252 -85.3252 17.0522 5.50442 protocols.relax.FastRelax: CMD: accept_to_best -85.3252 17.0522 5.50442 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.3252 17.0522 5.50442 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.3252 17.0522 5.50442 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.889 17.0522 5.50442 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1112 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.128 17.0522 5.50442 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -127.289 17.0522 5.50442 0.02805 protocols.relax.FastRelax: CMD: min -142.473 16.8572 5.53275 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -142.473 16.8572 5.53275 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -97.007 16.8572 5.53275 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1272 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.886 16.8572 5.53275 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -100.406 16.8572 5.53275 0.154 protocols.relax.FastRelax: CMD: min -118.832 16.9938 5.54162 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -118.832 16.9938 5.54162 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5006 16.9938 5.54162 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1139 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.0564 16.9938 5.54162 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.4946 16.9938 5.54162 0.31955 protocols.relax.FastRelax: CMD: min -100.518 16.9939 5.52447 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.518 16.9939 5.52447 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2107 16.9939 5.52447 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1045 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.8614 16.9939 5.52447 0.55 protocols.relax.FastRelax: CMD: min -85.3075 17.0516 5.50501 0.55 protocols.relax.FastRelax: MRP: 4 -85.3075 -85.3252 17.0522 5.50442 protocols.relax.FastRelax: CMD: accept_to_best -85.3075 17.0516 5.50501 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.3075 17.0516 5.50501 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_34.pdb protocols.relax.FastRelax: CMD: repeat 20036.1 9.13709 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 20036.1 9.13709 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3263.84 9.13709 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1034 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 54.6231 9.13709 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 66.7243 9.13709 0 0.02805 protocols.relax.FastRelax: CMD: min -64.8617 9.34547 4.59761 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8617 9.34547 4.59761 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5253 9.34547 4.59761 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1143 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.6757 9.34547 4.59761 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1271 9.34547 4.59761 0.154 protocols.relax.FastRelax: CMD: min -51.8736 9.48303 5.10428 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -51.8736 9.48303 5.10428 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5426 9.48303 5.10428 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1129 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.1825 9.48303 5.10428 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.3454 9.48303 5.10428 0.31955 protocols.relax.FastRelax: CMD: min -31.5858 9.5738 5.24963 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.5858 9.5738 5.24963 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.57974 9.5738 5.24963 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1070 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.94483 9.5738 5.24963 0.55 protocols.relax.FastRelax: CMD: min -51.2151 10.7211 7.21519 0.55 protocols.relax.FastRelax: MRP: 0 -51.2151 -51.2151 10.7211 7.21519 protocols.relax.FastRelax: CMD: accept_to_best -51.2151 10.7211 7.21519 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.2151 10.7211 7.21519 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.2151 10.7211 7.21519 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.7704 10.7211 7.21519 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1194 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.703 10.7211 7.21519 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.4899 10.7211 7.21519 0.02805 protocols.relax.FastRelax: CMD: min -94.7622 10.7205 7.26481 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.7622 10.7205 7.26481 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4063 10.7205 7.26481 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1200 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7925 10.7205 7.26481 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.3933 10.7205 7.26481 0.154 protocols.relax.FastRelax: CMD: min -81.2358 10.3836 6.81131 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2358 10.3836 6.81131 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0974 10.3836 6.81131 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1144 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.5983 10.3836 6.81131 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.3276 10.3836 6.81131 0.31955 protocols.relax.FastRelax: CMD: min -69.2265 10.4243 6.89166 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.2265 10.4243 6.89166 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5297 10.4243 6.89166 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1114 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.2066 10.4243 6.89166 0.55 protocols.relax.FastRelax: CMD: min -62.3114 10.4751 6.42309 0.55 protocols.relax.FastRelax: MRP: 1 -62.3114 -62.3114 10.4751 6.42309 protocols.relax.FastRelax: CMD: accept_to_best -62.3114 10.4751 6.42309 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.3114 10.4751 6.42309 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.3114 10.4751 6.42309 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.0417 10.4751 6.42309 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1226 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.4306 10.4751 6.42309 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.2558 10.4751 6.42309 0.02805 protocols.relax.FastRelax: CMD: min -99.9134 10.5479 6.48275 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.9134 10.5479 6.48275 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.1718 10.5479 6.48275 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1162 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.2389 10.5479 6.48275 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -83.114 10.5479 6.48275 0.154 protocols.relax.FastRelax: CMD: min -88.862 10.487 6.4045 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.862 10.487 6.4045 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.468 10.487 6.4045 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1127 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.4777 10.487 6.4045 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.423 10.487 6.4045 0.31955 protocols.relax.FastRelax: CMD: min -75.9673 10.4777 6.39909 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.9673 10.4777 6.39909 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2009 10.4777 6.39909 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1115 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.2057 10.4777 6.39909 0.55 protocols.relax.FastRelax: CMD: min -65.0671 10.3958 5.90559 0.55 protocols.relax.FastRelax: MRP: 2 -65.0671 -65.0671 10.3958 5.90559 protocols.relax.FastRelax: CMD: accept_to_best -65.0671 10.3958 5.90559 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.0671 10.3958 5.90559 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.0671 10.3958 5.90559 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -98.8617 10.3958 5.90559 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1263 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.593 10.3958 5.90559 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.461 10.3958 5.90559 0.02805 protocols.relax.FastRelax: CMD: min -109.122 10.403 5.76516 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.122 10.403 5.76516 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.9937 10.403 5.76516 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1180 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.2446 10.403 5.76516 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.5389 10.403 5.76516 0.154 protocols.relax.FastRelax: CMD: min -91.391 10.3741 5.75822 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -91.391 10.3741 5.75822 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6942 10.3741 5.75822 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1151 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.8483 10.3741 5.75822 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5019 10.3741 5.75822 0.31955 protocols.relax.FastRelax: CMD: min -77.4065 10.4093 5.82915 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.4065 10.4093 5.82915 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.557 10.4093 5.82915 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1137 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.2312 10.4093 5.82915 0.55 protocols.relax.FastRelax: CMD: min -67.2724 10.3648 5.73274 0.55 protocols.relax.FastRelax: MRP: 3 -67.2724 -67.2724 10.3648 5.73274 protocols.relax.FastRelax: CMD: accept_to_best -67.2724 10.3648 5.73274 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.2724 10.3648 5.73274 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.2724 10.3648 5.73274 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.029 10.3648 5.73274 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1259 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.661 10.3648 5.73274 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -102.501 10.3648 5.73274 0.02805 protocols.relax.FastRelax: CMD: min -103.196 10.3852 5.84087 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.196 10.3852 5.84087 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9969 10.3852 5.84087 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1177 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.4932 10.3852 5.84087 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.5283 10.3852 5.84087 0.154 protocols.relax.FastRelax: CMD: min -92.3531 10.3879 5.71418 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.3531 10.3879 5.71418 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.9135 10.3879 5.71418 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1105 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.0491 10.3879 5.71418 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.9069 10.3879 5.71418 0.31955 protocols.relax.FastRelax: CMD: min -79.7854 10.3409 5.63833 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.7854 10.3409 5.63833 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8476 10.3409 5.63833 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1136 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.8525 10.3409 5.63833 0.55 protocols.relax.FastRelax: CMD: min -67.7369 10.3721 5.71382 0.55 protocols.relax.FastRelax: MRP: 4 -67.7369 -67.7369 10.3721 5.71382 protocols.relax.FastRelax: CMD: accept_to_best -67.7369 10.3721 5.71382 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.7369 10.3721 5.71382 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_21.pdb protocols.relax.FastRelax: CMD: repeat 32051.3 10.2858 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 32051.3 10.2858 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4250.89 10.2858 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1264 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 104.168 10.2858 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 154.957 10.2858 0 0.02805 protocols.relax.FastRelax: CMD: min -92.4324 11.2054 3.74447 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4324 11.2054 3.74447 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.4902 11.2054 3.74447 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1319 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.9173 11.2054 3.74447 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.5757 11.2054 3.74447 0.154 protocols.relax.FastRelax: CMD: min -98.6427 11.463 4.86925 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.6427 11.463 4.86925 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0765 11.463 4.86925 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1382 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.9554 11.463 4.86925 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0146 11.463 4.86925 0.31955 protocols.relax.FastRelax: CMD: min -86.2905 11.3818 4.81546 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.2905 11.3818 4.81546 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8354 11.3818 4.81546 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1460 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.0227 11.3818 4.81546 0.55 protocols.relax.FastRelax: CMD: min -96.2506 10.9962 4.59578 0.55 protocols.relax.FastRelax: MRP: 0 -96.2506 -96.2506 10.9962 4.59578 protocols.relax.FastRelax: CMD: accept_to_best -96.2506 10.9962 4.59578 0.55 protocols.relax.FastRelax: CMD: endrepeat -96.2506 10.9962 4.59578 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -96.2506 10.9962 4.59578 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -131.492 10.9962 4.59578 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1259 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -138.739 10.9962 4.59578 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -136.804 10.9962 4.59578 0.02805 protocols.relax.FastRelax: CMD: min -153.009 11.1413 4.87585 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -153.009 11.1413 4.87585 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.8005 11.1413 4.87585 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1332 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.389 11.1413 4.87585 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.179 11.1413 4.87585 0.154 protocols.relax.FastRelax: CMD: min -124.178 11.1965 4.75514 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -124.178 11.1965 4.75514 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -104.529 11.1965 4.75514 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1258 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.88 11.1965 4.75514 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -103.359 11.1965 4.75514 0.31955 protocols.relax.FastRelax: CMD: min -106.725 11.1094 4.72719 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -106.725 11.1094 4.72719 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -84.005 11.1094 4.72719 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1157 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.0229 11.1094 4.72719 0.55 protocols.relax.FastRelax: CMD: min -100.321 11.1155 4.51828 0.55 protocols.relax.FastRelax: MRP: 1 -100.321 -100.321 11.1155 4.51828 protocols.relax.FastRelax: CMD: accept_to_best -100.321 11.1155 4.51828 0.55 protocols.relax.FastRelax: CMD: endrepeat -100.321 11.1155 4.51828 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -100.321 11.1155 4.51828 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -135.837 11.1155 4.51828 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1274 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -144.555 11.1155 4.51828 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -143.257 11.1155 4.51828 0.02805 protocols.relax.FastRelax: CMD: min -169.171 11.5238 4.90063 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -169.171 11.5238 4.90063 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -108.612 11.5238 4.90063 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1394 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.85 11.5238 4.90063 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.953 11.5238 4.90063 0.154 protocols.relax.FastRelax: CMD: min -128.84 11.3917 4.85895 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -128.84 11.3917 4.85895 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -106.88 11.3917 4.85895 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1261 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.136 11.3917 4.85895 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -105.402 11.3917 4.85895 0.31955 protocols.relax.FastRelax: CMD: min -110.224 11.3194 4.82298 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -110.224 11.3194 4.82298 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6945 11.3194 4.82298 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1248 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.1587 11.3194 4.82298 0.55 protocols.relax.FastRelax: CMD: min -103.752 11.04 4.43209 0.55 protocols.relax.FastRelax: MRP: 2 -103.752 -103.752 11.04 4.43209 protocols.relax.FastRelax: CMD: accept_to_best -103.752 11.04 4.43209 0.55 protocols.relax.FastRelax: CMD: endrepeat -103.752 11.04 4.43209 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -103.752 11.04 4.43209 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -138.843 11.04 4.43209 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1271 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -142.18 11.04 4.43209 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -140.548 11.04 4.43209 0.02805 protocols.relax.FastRelax: CMD: min -164.11 11.43 5.04725 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -164.11 11.43 5.04725 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -100.24 11.43 5.04725 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1334 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.98 11.43 5.04725 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -106.57 11.43 5.04725 0.154 protocols.relax.FastRelax: CMD: min -136.33 11.214 4.79613 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -136.33 11.214 4.79613 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -117.233 11.214 4.79613 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1193 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.717 11.214 4.79613 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -116.177 11.214 4.79613 0.31955 protocols.relax.FastRelax: CMD: min -120.873 11.0868 4.69188 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -120.873 11.0868 4.69188 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -99.7633 11.0868 4.69188 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1141 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.7981 11.0868 4.69188 0.55 protocols.relax.FastRelax: CMD: min -107.064 11.1032 4.37379 0.55 protocols.relax.FastRelax: MRP: 3 -107.064 -107.064 11.1032 4.37379 protocols.relax.FastRelax: CMD: accept_to_best -107.064 11.1032 4.37379 0.55 protocols.relax.FastRelax: CMD: endrepeat -107.064 11.1032 4.37379 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -107.064 11.1032 4.37379 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -142.277 11.1032 4.37379 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1280 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -143.518 11.1032 4.37379 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -142.559 11.1032 4.37379 0.02805 protocols.relax.FastRelax: CMD: min -161.686 11.5405 4.8599 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -161.686 11.5405 4.8599 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.0173 11.5405 4.8599 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1365 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.542 11.5405 4.8599 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -103.057 11.5405 4.8599 0.154 protocols.relax.FastRelax: CMD: min -135.406 11.2364 4.56221 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -135.406 11.2364 4.56221 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -116.981 11.2364 4.56221 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1153 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -118.51 11.2364 4.56221 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -117.069 11.2364 4.56221 0.31955 protocols.relax.FastRelax: CMD: min -121.047 11.1875 4.51614 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -121.047 11.1875 4.51614 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -100.085 11.1875 4.51614 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1130 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.089 11.1875 4.51614 0.55 protocols.relax.FastRelax: CMD: min -106.976 11.0863 4.33359 0.55 protocols.relax.FastRelax: MRP: 4 -106.976 -107.064 11.1032 4.37379 protocols.relax.FastRelax: CMD: accept_to_best -106.976 11.0863 4.33359 0.55 protocols.relax.FastRelax: CMD: endrepeat -106.976 11.0863 4.33359 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_10.pdb protocols.relax.FastRelax: CMD: repeat 24123.9 17.0934 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24123.9 17.0934 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3674.14 17.0934 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1206 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.7306 17.0934 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -13.9569 17.0934 0 0.02805 protocols.relax.FastRelax: CMD: min -101.622 16.9004 2.0048 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.622 16.9004 2.0048 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.1916 16.9004 2.0048 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1094 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.2178 16.9004 2.0048 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1717 16.9004 2.0048 0.154 protocols.relax.FastRelax: CMD: min -93.7781 16.8169 1.99444 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.7781 16.8169 1.99444 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.391 16.8169 1.99444 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1100 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.788 16.8169 1.99444 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5839 16.8169 1.99444 0.31955 protocols.relax.FastRelax: CMD: min -79.3629 16.8372 1.94625 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.3629 16.8372 1.94625 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2873 16.8372 1.94625 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1089 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.5998 16.8372 1.94625 0.55 protocols.relax.FastRelax: CMD: min -90.8483 16.8962 3.02639 0.55 protocols.relax.FastRelax: MRP: 0 -90.8483 -90.8483 16.8962 3.02639 protocols.relax.FastRelax: CMD: accept_to_best -90.8483 16.8962 3.02639 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.8483 16.8962 3.02639 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.8483 16.8962 3.02639 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -120.229 16.8962 3.02639 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1156 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.687 16.8962 3.02639 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -121.174 16.8962 3.02639 0.02805 protocols.relax.FastRelax: CMD: min -131.348 16.8289 3.23501 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -131.348 16.8289 3.23501 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -107.487 16.8289 3.23501 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1092 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.764 16.8289 3.23501 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -106.104 16.8289 3.23501 0.154 protocols.relax.FastRelax: CMD: min -117.937 16.8199 3.08521 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.937 16.8199 3.08521 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -103.5 16.8199 3.08521 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1070 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.488 16.8199 3.08521 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -102.352 16.8199 3.08521 0.31955 protocols.relax.FastRelax: CMD: min -104.783 16.8269 3.04788 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -104.783 16.8269 3.04788 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2992 16.8269 3.04788 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1064 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.3561 16.8269 3.04788 0.55 protocols.relax.FastRelax: CMD: min -94.9078 16.9292 2.95842 0.55 protocols.relax.FastRelax: MRP: 1 -94.9078 -94.9078 16.9292 2.95842 protocols.relax.FastRelax: CMD: accept_to_best -94.9078 16.9292 2.95842 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.9078 16.9292 2.95842 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9078 16.9292 2.95842 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -124.923 16.9292 2.95842 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1115 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.727 16.9292 2.95842 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -125.346 16.9292 2.95842 0.02805 protocols.relax.FastRelax: CMD: min -134.62 16.8663 3.18011 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -134.62 16.8663 3.18011 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -109.21 16.8663 3.18011 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1061 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.928 16.8663 3.18011 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.203 16.8663 3.18011 0.154 protocols.relax.FastRelax: CMD: min -121.24 16.8942 3.05274 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -121.24 16.8942 3.05274 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -107.953 16.8942 3.05274 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1039 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.028 16.8942 3.05274 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -106.982 16.8942 3.05274 0.31955 protocols.relax.FastRelax: CMD: min -107.88 16.8889 3.03296 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.88 16.8889 3.03296 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -90.6312 16.8889 3.03296 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1025 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.81 16.8889 3.03296 0.55 protocols.relax.FastRelax: CMD: min -95.1986 16.9175 2.92947 0.55 protocols.relax.FastRelax: MRP: 2 -95.1986 -95.1986 16.9175 2.92947 protocols.relax.FastRelax: CMD: accept_to_best -95.1986 16.9175 2.92947 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.1986 16.9175 2.92947 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -95.1986 16.9175 2.92947 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.32 16.9175 2.92947 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1117 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.965 16.9175 2.92947 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -125.582 16.9175 2.92947 0.02805 protocols.relax.FastRelax: CMD: min -127.28 16.9542 2.97282 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.28 16.9542 2.97282 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -117.393 16.9542 2.97282 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1087 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.43 16.9542 2.97282 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -116.738 16.9542 2.97282 0.154 protocols.relax.FastRelax: CMD: min -119.229 16.9203 2.99195 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.229 16.9203 2.99195 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -107.585 16.9203 2.99195 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1037 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.605 16.9203 2.99195 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -106.688 16.9203 2.99195 0.31955 protocols.relax.FastRelax: CMD: min -107.174 16.9169 2.97723 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.174 16.9169 2.97723 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -90.5354 16.9169 2.97723 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1015 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.5377 16.9169 2.97723 0.55 protocols.relax.FastRelax: CMD: min -95.2007 16.9161 2.93297 0.55 protocols.relax.FastRelax: MRP: 3 -95.2007 -95.2007 16.9161 2.93297 protocols.relax.FastRelax: CMD: accept_to_best -95.2007 16.9161 2.93297 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.2007 16.9161 2.93297 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -95.2007 16.9161 2.93297 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.323 16.9161 2.93297 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1116 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.962 16.9161 2.93297 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -125.581 16.9161 2.93297 0.02805 protocols.relax.FastRelax: CMD: min -127.32 16.9533 2.9765 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.32 16.9533 2.9765 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -117.376 16.9533 2.9765 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1087 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.414 16.9533 2.9765 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -116.718 16.9533 2.9765 0.154 protocols.relax.FastRelax: CMD: min -119.261 16.9176 2.99994 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.261 16.9176 2.99994 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -107.163 16.9176 2.99994 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1029 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.19 16.9176 2.99994 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -106.238 16.9176 2.99994 0.31955 protocols.relax.FastRelax: CMD: min -108.287 16.8733 2.9424 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -108.287 16.8733 2.9424 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -93.0431 16.8733 2.9424 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1021 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.047 16.8733 2.9424 0.55 protocols.relax.FastRelax: CMD: min -95.2021 16.915 2.92984 0.55 protocols.relax.FastRelax: MRP: 4 -95.2021 -95.2021 16.915 2.92984 protocols.relax.FastRelax: CMD: accept_to_best -95.2021 16.915 2.92984 0.55 protocols.relax.FastRelax: CMD: endrepeat -95.2021 16.915 2.92984 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_41.pdb protocols.relax.FastRelax: CMD: repeat 21207.2 12.5092 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21207.2 12.5092 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3991.59 12.5092 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1155 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.314104 12.5092 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 6.90878 12.5092 0 0.02805 protocols.relax.FastRelax: CMD: min -101.306 12.0371 2.32847 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.306 12.0371 2.32847 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.3788 12.0371 2.32847 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1209 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.6099 12.0371 2.32847 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8415 12.0371 2.32847 0.154 protocols.relax.FastRelax: CMD: min -83.4547 11.9245 2.33742 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.4547 11.9245 2.33742 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8499 11.9245 2.33742 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1067 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.8603 11.9245 2.33742 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2706 11.9245 2.33742 0.31955 protocols.relax.FastRelax: CMD: min -68.6474 11.9847 2.18722 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6474 11.9847 2.18722 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.0973 11.9847 2.18722 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1058 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.3398 11.9847 2.18722 0.55 protocols.relax.FastRelax: CMD: min -76.2951 12.029 3.35395 0.55 protocols.relax.FastRelax: MRP: 0 -76.2951 -76.2951 12.029 3.35395 protocols.relax.FastRelax: CMD: accept_to_best -76.2951 12.029 3.35395 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.2951 12.029 3.35395 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.2951 12.029 3.35395 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -110.426 12.029 3.35395 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1275 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.682 12.029 3.35395 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -114.864 12.029 3.35395 0.02805 protocols.relax.FastRelax: CMD: min -142.304 11.978 4.58791 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -142.304 11.978 4.58791 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -86.8254 11.978 4.58791 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1158 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.3321 11.978 4.58791 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -87.1292 11.978 4.58791 0.154 protocols.relax.FastRelax: CMD: min -109.672 12.0586 4.17014 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.672 12.0586 4.17014 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.8637 12.0586 4.17014 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1107 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.9592 12.0586 4.17014 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.0105 12.0586 4.17014 0.31955 protocols.relax.FastRelax: CMD: min -89.2348 12.0654 3.81399 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -89.2348 12.0654 3.81399 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7282 12.0654 3.81399 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1104 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.2712 12.0654 3.81399 0.55 protocols.relax.FastRelax: CMD: min -86.5196 12.4725 2.70612 0.55 protocols.relax.FastRelax: MRP: 1 -86.5196 -86.5196 12.4725 2.70612 protocols.relax.FastRelax: CMD: accept_to_best -86.5196 12.4725 2.70612 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.5196 12.4725 2.70612 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.5196 12.4725 2.70612 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -120.504 12.4725 2.70612 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1208 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.569 12.4725 2.70612 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -123.06 12.4725 2.70612 0.02805 protocols.relax.FastRelax: CMD: min -143.842 12.3219 2.8937 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -143.842 12.3219 2.8937 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -103.243 12.3219 2.8937 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1091 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.363 12.3219 2.8937 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -102.771 12.3219 2.8937 0.154 protocols.relax.FastRelax: CMD: min -119.932 12.3914 2.71533 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.932 12.3914 2.71533 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -99.4765 12.3914 2.71533 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1093 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.8394 12.3914 2.71533 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2882 12.3914 2.71533 0.31955 protocols.relax.FastRelax: CMD: min -101.549 12.4001 2.66317 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.549 12.4001 2.66317 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0937 12.4001 2.66317 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1082 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.1264 12.4001 2.66317 0.55 protocols.relax.FastRelax: CMD: min -92.4302 12.3166 3.24391 0.55 protocols.relax.FastRelax: MRP: 2 -92.4302 -92.4302 12.3166 3.24391 protocols.relax.FastRelax: CMD: accept_to_best -92.4302 12.3166 3.24391 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.4302 12.3166 3.24391 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4302 12.3166 3.24391 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -125.969 12.3166 3.24391 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1272 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.462 12.3166 3.24391 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -127.11 12.3166 3.24391 0.02805 protocols.relax.FastRelax: CMD: min -152.988 12.1644 3.8356 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -152.988 12.1644 3.8356 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.656 12.1644 3.8356 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1163 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.9319 12.1644 3.8356 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2107 12.1644 3.8356 0.154 protocols.relax.FastRelax: CMD: min -127.029 12.1803 3.61121 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -127.029 12.1803 3.61121 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -104.517 12.1803 3.61121 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1153 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.892 12.1803 3.61121 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -103.116 12.1803 3.61121 0.31955 protocols.relax.FastRelax: CMD: min -109.132 12.1914 3.52145 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -109.132 12.1914 3.52145 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4255 12.1914 3.52145 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1129 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.9243 12.1914 3.52145 0.55 protocols.relax.FastRelax: CMD: min -104.343 12.0207 4.80642 0.55 protocols.relax.FastRelax: MRP: 3 -104.343 -104.343 12.0207 4.80642 protocols.relax.FastRelax: CMD: accept_to_best -104.343 12.0207 4.80642 0.55 protocols.relax.FastRelax: CMD: endrepeat -104.343 12.0207 4.80642 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -104.343 12.0207 4.80642 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -139.242 12.0207 4.80642 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1362 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -141.525 12.0207 4.80642 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -140.661 12.0207 4.80642 0.02805 protocols.relax.FastRelax: CMD: min -165.902 11.8731 5.74726 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -165.902 11.8731 5.74726 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -106.47 11.8731 5.74726 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1173 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.214 11.8731 5.74726 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.617 11.8731 5.74726 0.154 protocols.relax.FastRelax: CMD: min -136.606 11.8756 5.36071 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -136.606 11.8756 5.36071 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -114.059 11.8756 5.36071 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1164 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.45 11.8756 5.36071 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -113.711 11.8756 5.36071 0.31955 protocols.relax.FastRelax: CMD: min -117.283 11.8842 5.1615 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -117.283 11.8842 5.1615 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -94.0203 11.8842 5.1615 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1169 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.1753 11.8842 5.1615 0.55 protocols.relax.FastRelax: CMD: min -106.309 12.0219 5.1164 0.55 protocols.relax.FastRelax: MRP: 4 -106.309 -106.309 12.0219 5.1164 protocols.relax.FastRelax: CMD: accept_to_best -106.309 12.0219 5.1164 0.55 protocols.relax.FastRelax: CMD: endrepeat -106.309 12.0219 5.1164 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_35.pdb protocols.relax.FastRelax: CMD: repeat 21789.7 12.4508 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21789.7 12.4508 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3181.1 12.4508 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1034 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.858196 12.4508 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 8.18835 12.4508 0 0.02805 protocols.relax.FastRelax: CMD: min -69.3956 13.8175 4.48592 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3956 13.8175 4.48592 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 138.59 13.8175 4.48592 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1148 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 87.7679 13.8175 4.48592 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 98.9562 13.8175 4.48592 0.154 protocols.relax.FastRelax: CMD: min -86.4858 13.8002 4.28796 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.4858 13.8002 4.28796 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.5437 13.8002 4.28796 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1128 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0455 13.8002 4.28796 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4786 13.8002 4.28796 0.31955 protocols.relax.FastRelax: CMD: min -68.4857 13.7746 4.17236 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.4857 13.7746 4.17236 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7575 13.7746 4.17236 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1050 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.9213 13.7746 4.17236 0.55 protocols.relax.FastRelax: CMD: min -65.4672 14.1201 4.53782 0.55 protocols.relax.FastRelax: MRP: 0 -65.4672 -65.4672 14.1201 4.53782 protocols.relax.FastRelax: CMD: accept_to_best -65.4672 14.1201 4.53782 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.4672 14.1201 4.53782 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4672 14.1201 4.53782 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.579 14.1201 4.53782 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1144 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.463 14.1201 4.53782 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.697 14.1201 4.53782 0.02805 protocols.relax.FastRelax: CMD: min -128.773 14.1958 4.77098 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -128.773 14.1958 4.77098 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -84.1286 14.1958 4.77098 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1196 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.15 14.1958 4.77098 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.4966 14.1958 4.77098 0.154 protocols.relax.FastRelax: CMD: min -101.226 14.175 4.61454 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.226 14.175 4.61454 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4287 14.175 4.61454 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1095 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.4793 14.175 4.61454 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.5359 14.175 4.61454 0.31955 protocols.relax.FastRelax: CMD: min -75.6814 14.1471 4.58211 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.6814 14.1471 4.58211 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1092 14.1471 4.58211 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1084 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.9493 14.1471 4.58211 0.55 protocols.relax.FastRelax: CMD: min -73.424 14.1232 4.51246 0.55 protocols.relax.FastRelax: MRP: 1 -73.424 -73.424 14.1232 4.51246 protocols.relax.FastRelax: CMD: accept_to_best -73.424 14.1232 4.51246 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.424 14.1232 4.51246 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.424 14.1232 4.51246 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -107.634 14.1232 4.51246 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1060 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.15 14.1232 4.51246 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -109.49 14.1232 4.51246 0.02805 protocols.relax.FastRelax: CMD: min -115.985 14.2367 4.61938 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.985 14.2367 4.61938 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.104 14.2367 4.61938 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1110 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.8658 14.2367 4.61938 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -97.779 14.2367 4.61938 0.154 protocols.relax.FastRelax: CMD: min -100.559 14.1858 4.59517 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.559 14.1858 4.59517 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.7402 14.1858 4.59517 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1097 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.3391 14.1858 4.59517 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.2094 14.1858 4.59517 0.31955 protocols.relax.FastRelax: CMD: min -86.4861 14.1573 4.55937 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.4861 14.1573 4.55937 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.252 14.1573 4.55937 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1080 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.2522 14.1573 4.55937 0.55 protocols.relax.FastRelax: CMD: min -74.6787 14.0801 4.52809 0.55 protocols.relax.FastRelax: MRP: 2 -74.6787 -74.6787 14.0801 4.52809 protocols.relax.FastRelax: CMD: accept_to_best -74.6787 14.0801 4.52809 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.6787 14.0801 4.52809 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.6787 14.0801 4.52809 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.178 14.0801 4.52809 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1112 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.559 14.0801 4.52809 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -110.697 14.0801 4.52809 0.02805 protocols.relax.FastRelax: CMD: min -127.299 14.1369 4.7698 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -127.299 14.1369 4.7698 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -87.4438 14.1369 4.7698 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1176 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.0242 14.1369 4.7698 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -90.0521 14.1369 4.7698 0.154 protocols.relax.FastRelax: CMD: min -104.202 14.1617 4.6452 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.202 14.1617 4.6452 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.937 14.1617 4.6452 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1061 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5447 14.1617 4.6452 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2643 14.1617 4.6452 0.31955 protocols.relax.FastRelax: CMD: min -88.0784 14.1381 4.6296 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.0784 14.1381 4.6296 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.5037 14.1381 4.6296 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1051 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5446 14.1381 4.6296 0.55 protocols.relax.FastRelax: CMD: min -79.2889 14.1303 4.6819 0.55 protocols.relax.FastRelax: MRP: 3 -79.2889 -79.2889 14.1303 4.6819 protocols.relax.FastRelax: CMD: accept_to_best -79.2889 14.1303 4.6819 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.2889 14.1303 4.6819 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2889 14.1303 4.6819 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.388 14.1303 4.6819 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1199 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.264 14.1303 4.6819 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -114.212 14.1303 4.6819 0.02805 protocols.relax.FastRelax: CMD: min -118.45 14.1796 4.74481 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.45 14.1796 4.74481 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.792 14.1796 4.74481 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1210 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.146 14.1796 4.74481 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -103.23 14.1796 4.74481 0.154 protocols.relax.FastRelax: CMD: min -106.47 14.1472 4.74074 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.47 14.1472 4.74074 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7204 14.1472 4.74074 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1120 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.0025 14.1472 4.74074 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -91.923 14.1472 4.74074 0.31955 protocols.relax.FastRelax: CMD: min -92.8213 14.1322 4.72629 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -92.8213 14.1322 4.72629 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6978 14.1322 4.72629 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1108 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.7018 14.1322 4.72629 0.55 protocols.relax.FastRelax: CMD: min -79.7514 14.0944 4.65924 0.55 protocols.relax.FastRelax: MRP: 4 -79.7514 -79.7514 14.0944 4.65924 protocols.relax.FastRelax: CMD: accept_to_best -79.7514 14.0944 4.65924 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.7514 14.0944 4.65924 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_6.pdb protocols.relax.FastRelax: CMD: repeat 22233.8 12.7433 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22233.8 12.7433 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4244.75 12.7433 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1066 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 33.6529 12.7433 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 49.3998 12.7433 0 0.02805 protocols.relax.FastRelax: CMD: min -85.4792 13.4536 4.37858 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.4792 13.4536 4.37858 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.5212 13.4536 4.37858 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 998 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.978 13.4536 4.37858 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9176 13.4536 4.37858 0.154 protocols.relax.FastRelax: CMD: min -73.0102 13.3932 3.92627 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.0102 13.3932 3.92627 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3644 13.3932 3.92627 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1014 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.1352 13.3932 3.92627 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.598 13.3932 3.92627 0.31955 protocols.relax.FastRelax: CMD: min -57.6079 13.3988 3.97314 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.6079 13.3988 3.97314 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5704 13.3988 3.97314 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 972 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.8531 13.3988 3.97314 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 4.76837e-07 Deriv= -0.13541 Finite Diff= 0.0298728 protocols.relax.FastRelax: CMD: min 44.7617 13.9052 4.98052 0.55 protocols.relax.FastRelax: MRP: 0 44.7617 44.7617 13.9052 4.98052 protocols.relax.FastRelax: CMD: accept_to_best 44.7617 13.9052 4.98052 0.55 protocols.relax.FastRelax: CMD: endrepeat 44.7617 13.9052 4.98052 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 44.7617 13.9052 4.98052 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.6972 13.9052 4.98052 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1186 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.7891 13.9052 4.98052 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.2984 13.9052 4.98052 0.02805 protocols.relax.FastRelax: CMD: min -118.381 13.8837 4.74888 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -118.381 13.8837 4.74888 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2554 13.8837 4.74888 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1100 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.7886 13.8837 4.74888 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.4802 13.8837 4.74888 0.154 protocols.relax.FastRelax: CMD: min -98.3734 13.9142 4.80115 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -98.3734 13.9142 4.80115 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.9004 13.9142 4.80115 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1041 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0093 13.9142 4.80115 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.561 13.9142 4.80115 0.31955 protocols.relax.FastRelax: CMD: min -82.5131 13.9321 4.84924 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.5131 13.9321 4.84924 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1298 13.9321 4.84924 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1026 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.4926 13.9321 4.84924 0.55 protocols.relax.FastRelax: CMD: min -82.2574 13.7229 4.38096 0.55 protocols.relax.FastRelax: MRP: 1 -82.2574 -82.2574 13.7229 4.38096 protocols.relax.FastRelax: CMD: accept_to_best -82.2574 13.7229 4.38096 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.2574 13.7229 4.38096 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2574 13.7229 4.38096 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -113.846 13.7229 4.38096 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1323 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.51 13.7229 4.38096 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -115.042 13.7229 4.38096 0.02805 protocols.relax.FastRelax: CMD: min -140.765 13.4437 4.20634 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -140.765 13.4437 4.20634 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -89.6784 13.4437 4.20634 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1323 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.6953 13.4437 4.20634 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -91.4023 13.4437 4.20634 0.154 protocols.relax.FastRelax: CMD: min -117.281 13.4623 4.06261 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.281 13.4623 4.06261 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.7342 13.4623 4.06261 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1165 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.768 13.4623 4.06261 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.0704 13.4623 4.06261 0.31955 protocols.relax.FastRelax: CMD: min -97.9325 13.4736 4.03497 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.9325 13.4736 4.03497 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -74.3323 13.4736 4.03497 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1146 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.8784 13.4736 4.03497 0.55 protocols.relax.FastRelax: CMD: min -90.2595 13.472 3.96514 0.55 protocols.relax.FastRelax: MRP: 2 -90.2595 -90.2595 13.472 3.96514 protocols.relax.FastRelax: CMD: accept_to_best -90.2595 13.472 3.96514 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.2595 13.472 3.96514 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.2595 13.472 3.96514 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -123.485 13.472 3.96514 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1425 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.182 13.472 3.96514 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -124.529 13.472 3.96514 0.02805 protocols.relax.FastRelax: CMD: min -145.826 13.4408 4.26784 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -145.826 13.4408 4.26784 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -96.6215 13.4408 4.26784 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1269 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.663 13.4408 4.26784 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5168 13.4408 4.26784 0.154 protocols.relax.FastRelax: CMD: min -123.131 13.4444 4.10597 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -123.131 13.4444 4.10597 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -102.01 13.4444 4.10597 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1264 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.049 13.4444 4.10597 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -100.386 13.4444 4.10597 0.31955 protocols.relax.FastRelax: CMD: min -107.686 13.4343 4.02733 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.686 13.4343 4.02733 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.7971 13.4343 4.02733 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1263 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.8868 13.4343 4.02733 0.55 protocols.relax.FastRelax: CMD: min -94.1347 13.4485 3.93789 0.55 protocols.relax.FastRelax: MRP: 3 -94.1347 -94.1347 13.4485 3.93789 protocols.relax.FastRelax: CMD: accept_to_best -94.1347 13.4485 3.93789 0.55 protocols.relax.FastRelax: CMD: endrepeat -94.1347 13.4485 3.93789 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -94.1347 13.4485 3.93789 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -127.947 13.4485 3.93789 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1442 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.755 13.4485 3.93789 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -129.25 13.4485 3.93789 0.02805 protocols.relax.FastRelax: CMD: min -139.732 13.444 4.30005 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.732 13.444 4.30005 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.8095 13.444 4.30005 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1307 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.853 13.444 4.30005 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -105.73 13.444 4.30005 0.154 protocols.relax.FastRelax: CMD: min -119.289 13.4917 4.15015 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.289 13.4917 4.15015 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -100.146 13.4917 4.15015 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1165 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.97 13.4917 4.15015 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -99.489 13.4917 4.15015 0.31955 protocols.relax.FastRelax: CMD: min -103.893 13.4585 4.03675 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -103.893 13.4585 4.03675 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9357 13.4585 4.03675 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1260 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.9344 13.4585 4.03675 0.55 protocols.relax.FastRelax: CMD: min -92.344 13.4533 3.91489 0.55 protocols.relax.FastRelax: MRP: 4 -92.344 -94.1347 13.4485 3.93789 protocols.relax.FastRelax: CMD: accept_to_best -92.344 13.4533 3.91489 0.55 protocols.relax.FastRelax: CMD: endrepeat -92.344 13.4533 3.91489 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_22.pdb protocols.relax.FastRelax: CMD: repeat 24510.4 9.78299 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24510.4 9.78299 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4038.82 9.78299 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 27.0706 9.78299 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 44.2821 9.78299 0 0.02805 protocols.relax.FastRelax: CMD: min -87.1546 9.3504 3.69127 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.1546 9.3504 3.69127 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.5711 9.3504 3.69127 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 985 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2698 9.3504 3.69127 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.5505 9.3504 3.69127 0.154 protocols.relax.FastRelax: CMD: min -83.6841 9.20163 3.66172 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.6841 9.20163 3.66172 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.2882 9.20163 3.66172 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 938 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.497 9.20163 3.66172 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.1394 9.20163 3.66172 0.31955 protocols.relax.FastRelax: CMD: min -65.5654 9.18198 3.67533 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.5654 9.18198 3.67533 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.5117 9.18198 3.67533 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 929 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.7841 9.18198 3.67533 0.55 protocols.relax.FastRelax: CMD: min -80.5349 9.1999 6.41294 0.55 protocols.relax.FastRelax: MRP: 0 -80.5349 -80.5349 9.1999 6.41294 protocols.relax.FastRelax: CMD: accept_to_best -80.5349 9.1999 6.41294 0.55 protocols.relax.FastRelax: CMD: endrepeat -80.5349 9.1999 6.41294 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -80.5349 9.1999 6.41294 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -110.154 9.1999 6.41294 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1145 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.762 9.1999 6.41294 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.359 9.1999 6.41294 0.02805 protocols.relax.FastRelax: CMD: min -112.105 9.22872 6.39474 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -112.105 9.22872 6.39474 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -104.043 9.22872 6.39474 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1042 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.782 9.22872 6.39474 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -103.236 9.22872 6.39474 0.154 protocols.relax.FastRelax: CMD: min -103.365 9.21684 6.38459 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -103.365 9.21684 6.38459 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.297 9.21684 6.38459 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1012 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.3839 9.21684 6.38459 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -92.5966 9.21684 6.38459 0.31955 protocols.relax.FastRelax: CMD: min -92.6673 9.21164 6.38501 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -92.6673 9.21164 6.38501 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -77.7748 9.21164 6.38501 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 991 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.7106 9.21164 6.38501 0.55 protocols.relax.FastRelax: CMD: min -82.5987 9.36747 6.85038 0.55 protocols.relax.FastRelax: MRP: 1 -82.5987 -82.5987 9.36747 6.85038 protocols.relax.FastRelax: CMD: accept_to_best -82.5987 9.36747 6.85038 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.5987 9.36747 6.85038 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.5987 9.36747 6.85038 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.073 9.36747 6.85038 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1125 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.405 9.36747 6.85038 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -112.383 9.36747 6.85038 0.02805 protocols.relax.FastRelax: CMD: min -113.736 9.36014 6.78518 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.736 9.36014 6.78518 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2022 9.36014 6.78518 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1003 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.529 9.36014 6.78518 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -104.988 9.36014 6.78518 0.154 protocols.relax.FastRelax: CMD: min -105.575 9.3719 6.74963 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -105.575 9.3719 6.74963 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.1951 9.3719 6.74963 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 983 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.8832 9.3719 6.74963 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.0613 9.3719 6.74963 0.31955 protocols.relax.FastRelax: CMD: min -94.4518 9.36266 6.78279 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.4518 9.36266 6.78279 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5504 9.36266 6.78279 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 971 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.9439 9.36266 6.78279 0.55 protocols.relax.FastRelax: CMD: min -85.321 9.3549 6.72733 0.55 protocols.relax.FastRelax: MRP: 2 -85.321 -85.321 9.3549 6.72733 protocols.relax.FastRelax: CMD: accept_to_best -85.321 9.3549 6.72733 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.321 9.3549 6.72733 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.321 9.3549 6.72733 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -114.662 9.3549 6.72733 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1125 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.07 9.3549 6.72733 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -115.132 9.3549 6.72733 0.02805 protocols.relax.FastRelax: CMD: min -115.917 9.36318 6.6909 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.917 9.36318 6.6909 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -97.4903 9.36318 6.6909 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1010 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.229 9.36318 6.6909 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.689 9.36318 6.6909 0.154 protocols.relax.FastRelax: CMD: min -107.783 9.36971 6.69098 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -107.783 9.36971 6.69098 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -97.6856 9.36971 6.69098 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 987 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.7386 9.36971 6.69098 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -96.9497 9.36971 6.69098 0.31955 protocols.relax.FastRelax: CMD: min -97.309 9.35693 6.69395 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.309 9.35693 6.69395 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -82.649 9.35693 6.69395 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 973 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.6495 9.35693 6.69395 0.55 protocols.relax.FastRelax: CMD: min -83.1989 9.3297 6.70397 0.55 protocols.relax.FastRelax: MRP: 3 -83.1989 -85.321 9.3549 6.72733 protocols.relax.FastRelax: CMD: accept_to_best -83.1989 9.3297 6.70397 0.55 protocols.relax.FastRelax: CMD: endrepeat -83.1989 9.3297 6.70397 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1989 9.3297 6.70397 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -115.384 9.3297 6.70397 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1126 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.034 9.3297 6.70397 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -115.1 9.3297 6.70397 0.02805 protocols.relax.FastRelax: CMD: min -116.015 9.37057 6.6958 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.015 9.37057 6.6958 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -97.7696 9.37057 6.6958 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1009 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.588 9.37057 6.6958 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.06 9.37057 6.6958 0.154 protocols.relax.FastRelax: CMD: min -108.114 9.36953 6.68857 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -108.114 9.36953 6.68857 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2266 9.36953 6.68857 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1012 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.2814 9.36953 6.68857 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -97.5093 9.36953 6.68857 0.31955 protocols.relax.FastRelax: CMD: min -97.6782 9.35838 6.69715 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.6782 9.35838 6.69715 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -83.2642 9.35838 6.69715 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 968 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.2646 9.35838 6.69715 0.55 protocols.relax.FastRelax: CMD: min -85.4939 9.35886 6.74997 0.55 protocols.relax.FastRelax: MRP: 4 -85.4939 -85.4939 9.35886 6.74997 protocols.relax.FastRelax: CMD: accept_to_best -85.4939 9.35886 6.74997 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.4939 9.35886 6.74997 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_8.pdb protocols.relax.FastRelax: CMD: repeat 19873.8 11.8346 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 19873.8 11.8346 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3683.48 11.8346 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1110 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 49.9216 11.8346 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 68.0867 11.8346 0 0.02805 protocols.relax.FastRelax: CMD: min -65.6599 12.0643 5.42956 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.6599 12.0643 5.42956 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -19.3062 12.0643 5.42956 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1037 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.739 12.0643 5.42956 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.0363 12.0643 5.42956 0.154 protocols.relax.FastRelax: CMD: min -60.2838 12.9259 5.34895 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.2838 12.9259 5.34895 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2229 12.9259 5.34895 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 994 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.4082 12.9259 5.34895 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.0689 12.9259 5.34895 0.31955 protocols.relax.FastRelax: CMD: min -42.8429 12.9241 5.36922 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -42.8429 12.9241 5.36922 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4659 12.9241 5.36922 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 984 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.6661 12.9241 5.36922 0.55 protocols.relax.FastRelax: CMD: min -48.2231 13.084 5.85926 0.55 protocols.relax.FastRelax: MRP: 0 -48.2231 -48.2231 13.084 5.85926 protocols.relax.FastRelax: CMD: accept_to_best -48.2231 13.084 5.85926 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.2231 13.084 5.85926 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.2231 13.084 5.85926 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0717 13.084 5.85926 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 991 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.6646 13.084 5.85926 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8457 13.084 5.85926 0.02805 protocols.relax.FastRelax: CMD: min -83.5936 12.9512 5.89671 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.5936 12.9512 5.89671 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -62.6873 12.9512 5.89671 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 951 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.0962 12.9512 5.89671 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4035 12.9512 5.89671 0.154 protocols.relax.FastRelax: CMD: min -74.2059 12.9104 6.20289 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.2059 12.9104 6.20289 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5664 12.9104 6.20289 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 928 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.5757 12.9104 6.20289 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5809 12.9104 6.20289 0.31955 protocols.relax.FastRelax: CMD: min -60.7056 12.914 6.20174 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.7056 12.914 6.20174 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9843 12.914 6.20174 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 913 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.0403 12.914 6.20174 0.55 protocols.relax.FastRelax: CMD: min -57.883 13.6154 8.67924 0.55 protocols.relax.FastRelax: MRP: 1 -57.883 -57.883 13.6154 8.67924 protocols.relax.FastRelax: CMD: accept_to_best -57.883 13.6154 8.67924 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.883 13.6154 8.67924 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.883 13.6154 8.67924 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.1754 13.6154 8.67924 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 994 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5102 13.6154 8.67924 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.8446 13.6154 8.67924 0.02805 protocols.relax.FastRelax: CMD: min -88.9522 13.5789 8.66609 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.9522 13.5789 8.66609 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.6399 13.5789 8.66609 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 956 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.77 13.5789 8.66609 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1617 13.5789 8.66609 0.154 protocols.relax.FastRelax: CMD: min -79.2057 13.579 8.66288 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2057 13.579 8.66288 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8965 13.579 8.66288 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 926 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.0601 13.579 8.66288 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.3471 13.579 8.66288 0.31955 protocols.relax.FastRelax: CMD: min -69.4791 13.5872 8.65892 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4791 13.5872 8.65892 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.0854 13.5872 8.65892 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 918 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.0932 13.5872 8.65892 0.55 protocols.relax.FastRelax: CMD: min -59.454 13.4364 8.67753 0.55 protocols.relax.FastRelax: MRP: 2 -59.454 -59.454 13.4364 8.67753 protocols.relax.FastRelax: CMD: accept_to_best -59.454 13.4364 8.67753 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.454 13.4364 8.67753 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.454 13.4364 8.67753 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.6277 13.4364 8.67753 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 988 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.3051 13.4364 8.67753 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.2906 13.4364 8.67753 0.02805 protocols.relax.FastRelax: CMD: min -90.2835 13.4054 8.65994 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.2835 13.4054 8.65994 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0474 13.4054 8.65994 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 950 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.6813 13.4054 8.65994 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.184 13.4054 8.65994 0.154 protocols.relax.FastRelax: CMD: min -81.2262 13.4054 8.65658 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2262 13.4054 8.65658 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9768 13.4054 8.65658 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 921 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.9774 13.4054 8.65658 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.248 13.4054 8.65658 0.31955 protocols.relax.FastRelax: CMD: min -71.3743 13.4119 8.65269 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.3743 13.4119 8.65269 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6506 13.4119 8.65269 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 910 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.6629 13.4119 8.65269 0.55 protocols.relax.FastRelax: CMD: min -59.4656 13.3872 8.70432 0.55 protocols.relax.FastRelax: MRP: 3 -59.4656 -59.4656 13.3872 8.70432 protocols.relax.FastRelax: CMD: accept_to_best -59.4656 13.3872 8.70432 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.4656 13.3872 8.70432 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.4656 13.3872 8.70432 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.6864 13.3872 8.70432 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 986 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.8418 13.3872 8.70432 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.8972 13.3872 8.70432 0.02805 protocols.relax.FastRelax: CMD: min -90.0178 13.3513 8.68865 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.0178 13.3513 8.68865 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3801 13.3513 8.68865 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 949 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.8524 13.3513 8.68865 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.3513 13.3513 8.68865 0.154 protocols.relax.FastRelax: CMD: min -81.3865 13.3517 8.68563 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3865 13.3517 8.68563 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0707 13.3517 8.68563 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 921 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.071 13.3517 8.68563 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3364 13.3517 8.68563 0.31955 protocols.relax.FastRelax: CMD: min -71.4604 13.3594 8.6828 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.4604 13.3594 8.6828 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6524 13.3594 8.6828 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 908 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.6645 13.3594 8.6828 0.55 protocols.relax.FastRelax: CMD: min -59.4674 13.3812 8.70667 0.55 protocols.relax.FastRelax: MRP: 4 -59.4674 -59.4674 13.3812 8.70667 protocols.relax.FastRelax: CMD: accept_to_best -59.4674 13.3812 8.70667 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.4674 13.3812 8.70667 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_48.pdb protocols.relax.FastRelax: CMD: repeat 22330.3 13.7618 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22330.3 13.7618 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3069.98 13.7618 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1049 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.91625 13.7618 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 0.99255 13.7618 0 0.02805 protocols.relax.FastRelax: CMD: min -55.4117 14.2298 3.12937 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.4117 14.2298 3.12937 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 5.85556 14.2298 3.12937 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1049 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8653 14.2298 3.12937 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.4745 14.2298 3.12937 0.154 protocols.relax.FastRelax: CMD: min -70.9386 14.4236 3.6716 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.9386 14.4236 3.6716 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.8224 14.4236 3.6716 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1085 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0531 14.4236 3.6716 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.686 14.4236 3.6716 0.31955 protocols.relax.FastRelax: CMD: min -52.985 14.4116 3.66528 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.985 14.4116 3.66528 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5358 14.4116 3.66528 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5495 14.4116 3.66528 0.55 protocols.relax.FastRelax: CMD: min -66.371 14.2633 3.99117 0.55 protocols.relax.FastRelax: MRP: 0 -66.371 -66.371 14.2633 3.99117 protocols.relax.FastRelax: CMD: accept_to_best -66.371 14.2633 3.99117 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.371 14.2633 3.99117 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.371 14.2633 3.99117 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.835 14.2633 3.99117 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1145 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -105.87 14.2633 3.99117 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.84 14.2633 3.99117 0.02805 protocols.relax.FastRelax: CMD: min -130.796 14.2775 4.18588 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -130.796 14.2775 4.18588 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6948 14.2775 4.18588 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1151 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.7607 14.2775 4.18588 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7642 14.2775 4.18588 0.154 protocols.relax.FastRelax: CMD: min -104.057 14.2779 4.11975 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.057 14.2779 4.11975 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9034 14.2779 4.11975 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1064 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.9155 14.2779 4.11975 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2577 14.2779 4.11975 0.31955 protocols.relax.FastRelax: CMD: min -86.2962 14.2665 4.07651 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.2962 14.2665 4.07651 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.0437 14.2665 4.07651 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1045 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.1198 14.2665 4.07651 0.55 protocols.relax.FastRelax: CMD: min -82.8704 14.1639 4.21761 0.55 protocols.relax.FastRelax: MRP: 1 -82.8704 -82.8704 14.1639 4.21761 protocols.relax.FastRelax: CMD: accept_to_best -82.8704 14.1639 4.21761 0.55 protocols.relax.FastRelax: CMD: endrepeat -82.8704 14.1639 4.21761 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8704 14.1639 4.21761 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -119.137 14.1639 4.21761 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1187 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -122.222 14.1639 4.21761 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -121.582 14.1639 4.21761 0.02805 protocols.relax.FastRelax: CMD: min -139.668 14.1929 4.50205 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.668 14.1929 4.50205 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9165 14.1929 4.50205 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1047 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.7584 14.1929 4.50205 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9489 14.1929 4.50205 0.154 protocols.relax.FastRelax: CMD: min -116.263 14.1627 4.38082 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -116.263 14.1627 4.38082 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.7844 14.1627 4.38082 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1014 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.947 14.1627 4.38082 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.3758 14.1627 4.38082 0.31955 protocols.relax.FastRelax: CMD: min -97.7874 14.1567 4.25379 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -97.7874 14.1567 4.25379 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -76.0255 14.1567 4.25379 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1008 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.0825 14.1567 4.25379 0.55 protocols.relax.FastRelax: CMD: min -84.5885 14.174 4.2019 0.55 protocols.relax.FastRelax: MRP: 2 -84.5885 -84.5885 14.174 4.2019 protocols.relax.FastRelax: CMD: accept_to_best -84.5885 14.174 4.2019 0.55 protocols.relax.FastRelax: CMD: endrepeat -84.5885 14.174 4.2019 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -84.5885 14.174 4.2019 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -120.398 14.174 4.2019 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1179 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.195 14.174 4.2019 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.557 14.174 4.2019 0.02805 protocols.relax.FastRelax: CMD: min -136.767 14.2105 4.43297 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -136.767 14.2105 4.43297 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -102.95 14.2105 4.43297 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1036 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.487 14.2105 4.43297 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -102.377 14.2105 4.43297 0.154 protocols.relax.FastRelax: CMD: min -116.201 14.2054 4.43174 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -116.201 14.2054 4.43174 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -96.6646 14.2054 4.43174 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1017 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.1399 14.2054 4.43174 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -95.6193 14.2054 4.43174 0.31955 protocols.relax.FastRelax: CMD: min -100.649 14.1805 4.33906 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.649 14.1805 4.33906 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -80.1522 14.1805 4.33906 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.3591 14.1805 4.33906 0.55 protocols.relax.FastRelax: CMD: min -85.8006 14.1745 4.1945 0.55 protocols.relax.FastRelax: MRP: 3 -85.8006 -85.8006 14.1745 4.1945 protocols.relax.FastRelax: CMD: accept_to_best -85.8006 14.1745 4.1945 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.8006 14.1745 4.1945 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.8006 14.1745 4.1945 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -121.481 14.1745 4.1945 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1161 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.612 14.1745 4.1945 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -122.973 14.1745 4.1945 0.02805 protocols.relax.FastRelax: CMD: min -139.392 14.1937 4.53598 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -139.392 14.1937 4.53598 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -95.0888 14.1937 4.53598 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1008 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.0259 14.1937 4.53598 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -96.3262 14.1937 4.53598 0.154 protocols.relax.FastRelax: CMD: min -119.058 14.1537 4.32456 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -119.058 14.1537 4.32456 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -100.178 14.1537 4.32456 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 992 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.302 14.1537 4.32456 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.823 14.1537 4.32456 0.31955 protocols.relax.FastRelax: CMD: min -100.006 14.1344 4.30745 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.006 14.1344 4.30745 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -74.161 14.1344 4.30745 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 983 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.4755 14.1344 4.30745 0.55 protocols.relax.FastRelax: CMD: min -85.8175 14.1756 4.19498 0.55 protocols.relax.FastRelax: MRP: 4 -85.8175 -85.8175 14.1756 4.19498 protocols.relax.FastRelax: CMD: accept_to_best -85.8175 14.1756 4.19498 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.8175 14.1756 4.19498 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_7.pdb protocols.relax.FastRelax: CMD: repeat 23345 10.8849 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 23345 10.8849 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3540.83 10.8849 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 996 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 32.7193 10.8849 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 36.8238 10.8849 0 0.02805 protocols.relax.FastRelax: CMD: min -70.6464 13.3333 6.10177 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -70.6464 13.3333 6.10177 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.2425 13.3333 6.10177 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 951 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.8182 13.3333 6.10177 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3103 13.3333 6.10177 0.154 protocols.relax.FastRelax: CMD: min -68.482 13.5544 6.31714 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.482 13.5544 6.31714 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.884 13.5544 6.31714 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 949 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.3252 13.5544 6.31714 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3004 13.5544 6.31714 0.31955 protocols.relax.FastRelax: CMD: min -54.4497 13.5551 6.32581 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.4497 13.5551 6.32581 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.1256 13.5551 6.32581 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 946 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.6652 13.5551 6.32581 0.55 protocols.relax.FastRelax: CMD: min -65.8215 13.3712 6.73917 0.55 protocols.relax.FastRelax: MRP: 0 -65.8215 -65.8215 13.3712 6.73917 protocols.relax.FastRelax: CMD: accept_to_best -65.8215 13.3712 6.73917 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.8215 13.3712 6.73917 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.8215 13.3712 6.73917 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.9596 13.3712 6.73917 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 948 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.5955 13.3712 6.73917 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.2763 13.3712 6.73917 0.02805 protocols.relax.FastRelax: CMD: min -92.4148 13.37 6.73922 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4148 13.37 6.73922 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -86.1669 13.37 6.73922 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 911 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.3018 13.37 6.73922 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -85.8641 13.37 6.73922 0.154 protocols.relax.FastRelax: CMD: min -85.9257 13.3722 6.74169 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9257 13.3722 6.74169 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.755 13.3722 6.74169 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 908 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.7551 13.3722 6.74169 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.1108 13.3722 6.74169 0.31955 protocols.relax.FastRelax: CMD: min -77.1281 13.3721 6.74175 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.1281 13.3721 6.74175 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8507 13.3721 6.74175 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 904 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.9459 13.3721 6.74175 0.55 protocols.relax.FastRelax: CMD: min -69.8469 13.4172 6.95782 0.55 protocols.relax.FastRelax: MRP: 1 -69.8469 -69.8469 13.4172 6.95782 protocols.relax.FastRelax: CMD: accept_to_best -69.8469 13.4172 6.95782 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.8469 13.4172 6.95782 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.8469 13.4172 6.95782 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6231 13.4172 6.95782 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 943 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.3418 13.4172 6.95782 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.0344 13.4172 6.95782 0.02805 protocols.relax.FastRelax: CMD: min -95.1739 13.4154 6.95707 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.1739 13.4154 6.95707 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -89.1539 13.4154 6.95707 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 906 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.1539 13.4154 6.95707 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.7319 13.4154 6.95707 0.154 protocols.relax.FastRelax: CMD: min -88.7859 13.419 6.96153 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.7859 13.419 6.96153 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9092 13.419 6.96153 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 903 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.9093 13.419 6.96153 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.2882 13.419 6.96153 0.31955 protocols.relax.FastRelax: CMD: min -80.2974 13.418 6.96077 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.2974 13.418 6.96077 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.4612 13.418 6.96077 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 899 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.4613 13.418 6.96077 0.55 protocols.relax.FastRelax: CMD: min -69.8632 13.4232 6.97498 0.55 protocols.relax.FastRelax: MRP: 2 -69.8632 -69.8632 13.4232 6.97498 protocols.relax.FastRelax: CMD: accept_to_best -69.8632 13.4232 6.97498 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.8632 13.4232 6.97498 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.8632 13.4232 6.97498 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6789 13.4232 6.97498 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 941 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.4046 13.4232 6.97498 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.0957 13.4232 6.97498 0.02805 protocols.relax.FastRelax: CMD: min -95.2368 13.4219 6.97549 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.2368 13.4219 6.97549 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -89.1856 13.4219 6.97549 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 904 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.0227 13.4219 6.97549 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.5797 13.4219 6.97549 0.154 protocols.relax.FastRelax: CMD: min -88.638 13.428 6.98276 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.638 13.428 6.98276 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.4103 13.428 6.98276 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 901 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.4103 13.428 6.98276 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7616 13.428 6.98276 0.31955 protocols.relax.FastRelax: CMD: min -79.8284 13.4254 6.97803 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.8284 13.4254 6.97803 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.5613 13.4254 6.97803 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 897 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.1992 13.4254 6.97803 0.55 protocols.relax.FastRelax: CMD: min -69.8753 13.4198 6.97902 0.55 protocols.relax.FastRelax: MRP: 3 -69.8753 -69.8753 13.4198 6.97902 protocols.relax.FastRelax: CMD: accept_to_best -69.8753 13.4198 6.97902 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.8753 13.4198 6.97902 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.8753 13.4198 6.97902 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.682 13.4198 6.97902 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 941 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.4129 13.4198 6.97902 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.1029 13.4198 6.97902 0.02805 protocols.relax.FastRelax: CMD: min -95.2476 13.4186 6.97923 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.2476 13.4186 6.97923 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -89.1755 13.4186 6.97923 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 904 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.1756 13.4186 6.97923 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -88.7499 13.4186 6.97923 0.154 protocols.relax.FastRelax: CMD: min -88.8051 13.4214 6.98224 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.8051 13.4214 6.98224 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8595 13.4214 6.98224 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 901 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.8596 13.4214 6.98224 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.2331 13.4214 6.98224 0.31955 protocols.relax.FastRelax: CMD: min -80.243 13.421 6.98207 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.243 13.421 6.98207 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.3052 13.421 6.98207 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 896 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.3052 13.421 6.98207 0.55 protocols.relax.FastRelax: CMD: min -69.8908 13.4236 6.99268 0.55 protocols.relax.FastRelax: MRP: 4 -69.8908 -69.8908 13.4236 6.99268 protocols.relax.FastRelax: CMD: accept_to_best -69.8908 13.4236 6.99268 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.8908 13.4236 6.99268 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_28.pdb protocols.relax.FastRelax: CMD: repeat 23599.4 12.2273 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 23599.4 12.2273 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3947.66 12.2273 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1089 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 91.5426 12.2273 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 129.442 12.2273 0 0.02805 protocols.relax.FastRelax: CMD: min -88.3521 12.4413 5.37279 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.3521 12.4413 5.37279 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.1399 12.4413 5.37279 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1130 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.5375 12.4413 5.37279 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9186 12.4413 5.37279 0.154 protocols.relax.FastRelax: CMD: min -91.6365 11.2736 4.14101 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -91.6365 11.2736 4.14101 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.2982 11.2736 4.14101 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 960 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6631 11.2736 4.14101 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3651 11.2736 4.14101 0.31955 protocols.relax.FastRelax: CMD: min -76.2513 11.2642 4.16077 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.2513 11.2642 4.16077 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.5964 11.2642 4.16077 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 950 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.9802 11.2642 4.16077 0.55 protocols.relax.FastRelax: CMD: min -90.6957 10.968 4.42735 0.55 protocols.relax.FastRelax: MRP: 0 -90.6957 -90.6957 10.968 4.42735 protocols.relax.FastRelax: CMD: accept_to_best -90.6957 10.968 4.42735 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.6957 10.968 4.42735 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.6957 10.968 4.42735 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -119.352 10.968 4.42735 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 974 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -126.941 10.968 4.42735 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -125.825 10.968 4.42735 0.02805 protocols.relax.FastRelax: CMD: min -126.095 10.9729 4.41626 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.095 10.9729 4.41626 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -104.306 10.9729 4.41626 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 940 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.738 10.9729 4.41626 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -107.556 10.9729 4.41626 0.154 protocols.relax.FastRelax: CMD: min -117.121 11.0743 4.4308 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.121 11.0743 4.4308 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -101.357 11.0743 4.4308 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 922 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.432 11.0743 4.4308 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -102.409 11.0743 4.4308 0.31955 protocols.relax.FastRelax: CMD: min -104.542 11.0871 4.49229 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -104.542 11.0871 4.49229 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -87.3238 11.0871 4.49229 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 918 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.4079 11.0871 4.49229 0.55 protocols.relax.FastRelax: CMD: min -99.696 10.7273 5.4306 0.55 protocols.relax.FastRelax: MRP: 1 -99.696 -99.696 10.7273 5.4306 protocols.relax.FastRelax: CMD: accept_to_best -99.696 10.7273 5.4306 0.55 protocols.relax.FastRelax: CMD: endrepeat -99.696 10.7273 5.4306 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -99.696 10.7273 5.4306 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -127.902 10.7273 5.4306 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 934 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -130.894 10.7273 5.4306 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -130.232 10.7273 5.4306 0.02805 protocols.relax.FastRelax: CMD: min -146.473 10.7086 5.5658 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -146.473 10.7086 5.5658 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -100.521 10.7086 5.5658 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 901 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.028 10.7086 5.5658 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -100.267 10.7086 5.5658 0.154 protocols.relax.FastRelax: CMD: min -123.83 10.5907 5.62421 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -123.83 10.5907 5.62421 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -108.445 10.5907 5.62421 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 890 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.967 10.5907 5.62421 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -107.718 10.5907 5.62421 0.31955 protocols.relax.FastRelax: CMD: min -108.794 10.589 5.61663 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -108.794 10.589 5.61663 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.5714 10.589 5.61663 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 885 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.9651 10.589 5.61663 0.55 protocols.relax.FastRelax: CMD: min -102.734 10.6616 5.48963 0.55 protocols.relax.FastRelax: MRP: 2 -102.734 -102.734 10.6616 5.48963 protocols.relax.FastRelax: CMD: accept_to_best -102.734 10.6616 5.48963 0.55 protocols.relax.FastRelax: CMD: endrepeat -102.734 10.6616 5.48963 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -102.734 10.6616 5.48963 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -130.452 10.6616 5.48963 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 923 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -133.367 10.6616 5.48963 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -132.26 10.6616 5.48963 0.02805 protocols.relax.FastRelax: CMD: min -136.49 10.709 5.39623 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -136.49 10.709 5.39623 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -117.179 10.709 5.39623 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1024 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.461 10.709 5.39623 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -119.507 10.709 5.39623 0.154 protocols.relax.FastRelax: CMD: min -125.469 10.6826 5.38976 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -125.469 10.6826 5.38976 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -114.181 10.6826 5.38976 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 888 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.182 10.6826 5.38976 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -113.292 10.6826 5.38976 0.31955 protocols.relax.FastRelax: CMD: min -115.033 10.6647 5.42674 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -115.033 10.6647 5.42674 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -100.607 10.6647 5.42674 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 880 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.61 10.6647 5.42674 0.55 protocols.relax.FastRelax: CMD: min -104.16 10.685 5.13594 0.55 protocols.relax.FastRelax: MRP: 3 -104.16 -104.16 10.685 5.13594 protocols.relax.FastRelax: CMD: accept_to_best -104.16 10.685 5.13594 0.55 protocols.relax.FastRelax: CMD: endrepeat -104.16 10.685 5.13594 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -104.16 10.685 5.13594 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -132.48 10.685 5.13594 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 920 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -135.461 10.685 5.13594 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -134.83 10.685 5.13594 0.02805 protocols.relax.FastRelax: CMD: min -147.587 10.6543 5.12189 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -147.587 10.6543 5.12189 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -117.264 10.6543 5.12189 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1017 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.003 10.6543 5.12189 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -118.249 10.6543 5.12189 0.154 protocols.relax.FastRelax: CMD: min -130.76 10.6239 5.22382 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -130.76 10.6239 5.22382 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -116.374 10.6239 5.22382 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 885 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.384 10.6239 5.22382 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -115.252 10.6239 5.22382 0.31955 protocols.relax.FastRelax: CMD: min -117.226 10.608 5.21769 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -117.226 10.608 5.21769 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -100.516 10.608 5.21769 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 881 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.522 10.608 5.21769 0.55 protocols.relax.FastRelax: CMD: min -104.21 10.6854 5.14281 0.55 protocols.relax.FastRelax: MRP: 4 -104.21 -104.21 10.6854 5.14281 protocols.relax.FastRelax: CMD: accept_to_best -104.21 10.6854 5.14281 0.55 protocols.relax.FastRelax: CMD: endrepeat -104.21 10.6854 5.14281 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_36.pdb protocols.relax.FastRelax: CMD: repeat 20910.1 11.2882 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 20910.1 11.2882 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3718.15 11.2882 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1068 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 23.5759 11.2882 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 31.0772 11.2882 0 0.02805 protocols.relax.FastRelax: CMD: min -72.5275 9.54196 4.86278 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.5275 9.54196 4.86278 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.3312 9.54196 4.86278 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1033 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1123 9.54196 4.86278 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.8605 9.54196 4.86278 0.154 protocols.relax.FastRelax: CMD: min -58.5715 9.5158 4.93471 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.5715 9.5158 4.93471 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.2163 9.5158 4.93471 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1025 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.6639 9.5158 4.93471 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.1055 9.5158 4.93471 0.31955 protocols.relax.FastRelax: CMD: min -55.3699 9.29708 6.01391 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3699 9.29708 6.01391 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1329 9.29708 6.01391 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1043 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.0317 9.29708 6.01391 0.55 protocols.relax.FastRelax: CMD: min -55.8552 10.3333 9.48993 0.55 protocols.relax.FastRelax: MRP: 0 -55.8552 -55.8552 10.3333 9.48993 protocols.relax.FastRelax: CMD: accept_to_best -55.8552 10.3333 9.48993 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.8552 10.3333 9.48993 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8552 10.3333 9.48993 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0484 10.3333 9.48993 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1043 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.0042 10.3333 9.48993 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.3133 10.3333 9.48993 0.02805 protocols.relax.FastRelax: CMD: min -96.9286 10.2861 9.54188 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.9286 10.2861 9.54188 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.0053 10.2861 9.54188 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 996 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.2703 10.2861 9.54188 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.6578 10.2861 9.54188 0.154 protocols.relax.FastRelax: CMD: min -85.9523 10.2789 9.45837 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9523 10.2789 9.45837 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.6276 10.2789 9.45837 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 990 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.0574 10.2789 9.45837 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.8673 10.2789 9.45837 0.31955 protocols.relax.FastRelax: CMD: min -74.4781 10.2346 9.54617 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.4781 10.2346 9.54617 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.4504 10.2346 9.54617 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 985 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.517 10.2346 9.54617 0.55 protocols.relax.FastRelax: CMD: min -62.8222 11.2852 12.5921 0.55 protocols.relax.FastRelax: MRP: 1 -62.8222 -62.8222 11.2852 12.5921 protocols.relax.FastRelax: CMD: accept_to_best -62.8222 11.2852 12.5921 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.8222 11.2852 12.5921 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.8222 11.2852 12.5921 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9885 11.2852 12.5921 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1051 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.0128 11.2852 12.5921 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.3231 11.2852 12.5921 0.02805 protocols.relax.FastRelax: CMD: min -99.702 11.0817 12.4019 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.702 11.0817 12.4019 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.4568 11.0817 12.4019 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.3976 11.0817 12.4019 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.816 11.0817 12.4019 0.154 protocols.relax.FastRelax: CMD: min -88.5646 11.0353 12.2732 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.5646 11.0353 12.2732 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.458 11.0353 12.2732 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1000 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7289 11.0353 12.2732 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5478 11.0353 12.2732 0.31955 protocols.relax.FastRelax: CMD: min -76.4654 11.0532 12.3852 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4654 11.0532 12.3852 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6583 11.0532 12.3852 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 993 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.6696 11.0532 12.3852 0.55 protocols.relax.FastRelax: CMD: min -62.8216 11.2947 12.6141 0.55 protocols.relax.FastRelax: MRP: 2 -62.8216 -62.8222 11.2852 12.5921 protocols.relax.FastRelax: CMD: accept_to_best -62.8216 11.2947 12.6141 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.8216 11.2947 12.6141 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.8216 11.2947 12.6141 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.9743 11.2947 12.6141 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1051 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.9866 11.2947 12.6141 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.3044 11.2947 12.6141 0.02805 protocols.relax.FastRelax: CMD: min -107.103 10.6033 11.933 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.103 10.6033 11.933 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.7194 10.6033 11.933 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1001 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.8858 10.6033 11.933 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.9642 10.6033 11.933 0.154 protocols.relax.FastRelax: CMD: min -89.6188 10.8653 12.4054 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.6188 10.8653 12.4054 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9055 10.8653 12.4054 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1002 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.3942 10.8653 12.4054 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0829 10.8653 12.4054 0.31955 protocols.relax.FastRelax: CMD: min -76.4642 11.1444 12.6662 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4642 11.1444 12.6662 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4997 11.1444 12.6662 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 992 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.5165 11.1444 12.6662 0.55 protocols.relax.FastRelax: CMD: min -63.4275 11.6853 13.3541 0.55 protocols.relax.FastRelax: MRP: 3 -63.4275 -63.4275 11.6853 13.3541 protocols.relax.FastRelax: CMD: accept_to_best -63.4275 11.6853 13.3541 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.4275 11.6853 13.3541 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.4275 11.6853 13.3541 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.8434 11.6853 13.3541 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1048 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.8745 11.6853 13.3541 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.1853 11.6853 13.3541 0.02805 protocols.relax.FastRelax: CMD: min -102.272 11.5277 13.4296 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.272 11.5277 13.4296 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.0209 11.5277 13.4296 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1008 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.6239 11.5277 13.4296 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.1999 11.5277 13.4296 0.154 protocols.relax.FastRelax: CMD: min -88.7993 11.5284 13.3555 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.7993 11.5284 13.3555 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7561 11.5284 13.3555 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.0594 11.5284 13.3555 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8846 11.5284 13.3555 0.31955 protocols.relax.FastRelax: CMD: min -76.8384 11.5636 13.2523 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.8384 11.5636 13.2523 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4009 11.5636 13.2523 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 995 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4017 11.5636 13.2523 0.55 protocols.relax.FastRelax: CMD: min -63.4825 11.6944 13.4374 0.55 protocols.relax.FastRelax: MRP: 4 -63.4825 -63.4825 11.6944 13.4374 protocols.relax.FastRelax: CMD: accept_to_best -63.4825 11.6944 13.4374 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.4825 11.6944 13.4374 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_15.pdb protocols.relax.FastRelax: CMD: repeat 24428.7 16.8966 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24428.7 16.8966 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3473.88 16.8966 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1137 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 24.39 16.8966 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 30.4037 16.8966 0 0.02805 protocols.relax.FastRelax: CMD: min -68.5395 15.2684 3.90182 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -68.5395 15.2684 3.90182 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2324 15.2684 3.90182 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1141 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.3866 15.2684 3.90182 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.2606 15.2684 3.90182 0.154 protocols.relax.FastRelax: CMD: min -60.3946 15.459 4.47017 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.3946 15.459 4.47017 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.692 15.459 4.47017 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1265 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.415 15.459 4.47017 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.9509 15.459 4.47017 0.31955 protocols.relax.FastRelax: CMD: min -41.5233 15.4911 4.427 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.5233 15.4911 4.427 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.6343 15.4911 4.427 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1261 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2691 15.4911 4.427 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 3.8147e-06 Deriv= -0.498593 Finite Diff= -0.0403027 protocols.relax.FastRelax: CMD: min -49.6171 15.8332 5.07914 0.55 protocols.relax.FastRelax: MRP: 0 -49.6171 -49.6171 15.8332 5.07914 protocols.relax.FastRelax: CMD: accept_to_best -49.6171 15.8332 5.07914 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.6171 15.8332 5.07914 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.6171 15.8332 5.07914 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2344 15.8332 5.07914 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1191 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.2995 15.8332 5.07914 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.4614 15.8332 5.07914 0.02805 protocols.relax.FastRelax: CMD: min -107.836 15.9122 5.61351 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.836 15.9122 5.61351 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1618 15.9122 5.61351 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1165 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.3877 15.9122 5.61351 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.6396 15.9122 5.61351 0.154 protocols.relax.FastRelax: CMD: min -82.3808 15.731 5.42045 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.3808 15.731 5.42045 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.4062 15.731 5.42045 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1148 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.0596 15.731 5.42045 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4289 15.731 5.42045 0.31955 protocols.relax.FastRelax: CMD: min -67.005 15.5735 5.28461 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.005 15.5735 5.28461 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.4911 15.5735 5.28461 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1100 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.5244 15.5735 5.28461 0.55 protocols.relax.FastRelax: CMD: min -59.7179 15.4044 5.53149 0.55 protocols.relax.FastRelax: MRP: 1 -59.7179 -59.7179 15.4044 5.53149 protocols.relax.FastRelax: CMD: accept_to_best -59.7179 15.4044 5.53149 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.7179 15.4044 5.53149 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.7179 15.4044 5.53149 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7727 15.4044 5.53149 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1198 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.6852 15.4044 5.53149 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.0796 15.4044 5.53149 0.02805 protocols.relax.FastRelax: CMD: min -117.018 15.7221 6.24726 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -117.018 15.7221 6.24726 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9511 15.7221 6.24726 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1160 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6815 15.7221 6.24726 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.8279 15.7221 6.24726 0.154 protocols.relax.FastRelax: CMD: min -93.8991 15.6503 6.17961 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.8991 15.6503 6.17961 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.327 15.6503 6.17961 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1159 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.7164 15.6503 6.17961 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0991 15.6503 6.17961 0.31955 protocols.relax.FastRelax: CMD: min -77.9461 15.54 6.13422 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9461 15.54 6.13422 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.9574 15.54 6.13422 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1114 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.9789 15.54 6.13422 0.55 protocols.relax.FastRelax: CMD: min -65.283 15.6294 5.96179 0.55 protocols.relax.FastRelax: MRP: 2 -65.283 -65.283 15.6294 5.96179 protocols.relax.FastRelax: CMD: accept_to_best -65.283 15.6294 5.96179 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.283 15.6294 5.96179 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.283 15.6294 5.96179 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -98.6029 15.6294 5.96179 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1218 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.97 15.6294 5.96179 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.384 15.6294 5.96179 0.02805 protocols.relax.FastRelax: CMD: min -109.367 15.7681 6.3369 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.367 15.7681 6.3369 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6715 15.7681 6.3369 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1120 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.801 15.7681 6.3369 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.2615 15.7681 6.3369 0.154 protocols.relax.FastRelax: CMD: min -100.211 15.7963 6.05082 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.211 15.7963 6.05082 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2873 15.7963 6.05082 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1081 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.3091 15.7963 6.05082 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.899 15.7963 6.05082 0.31955 protocols.relax.FastRelax: CMD: min -83.1875 15.7921 6.08205 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1875 15.7921 6.08205 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.1973 15.7921 6.08205 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1070 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.3781 15.7921 6.08205 0.55 protocols.relax.FastRelax: CMD: min -76.764 15.8959 6.30995 0.55 protocols.relax.FastRelax: MRP: 3 -76.764 -76.764 15.8959 6.30995 protocols.relax.FastRelax: CMD: accept_to_best -76.764 15.8959 6.30995 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.764 15.8959 6.30995 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.764 15.8959 6.30995 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.486 15.8959 6.30995 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1177 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.86 15.8959 6.30995 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -111.054 15.8959 6.30995 0.02805 protocols.relax.FastRelax: CMD: min -125.654 16.0235 6.56406 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.654 16.0235 6.56406 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -89.9149 16.0235 6.56406 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1122 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.7619 16.0235 6.56406 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -89.6245 16.0235 6.56406 0.154 protocols.relax.FastRelax: CMD: min -104.89 16.0574 6.55594 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.89 16.0574 6.55594 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9154 16.0574 6.55594 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1154 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1472 16.0574 6.55594 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.5936 16.0574 6.55594 0.31955 protocols.relax.FastRelax: CMD: min -90.8444 16.0105 6.49327 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -90.8444 16.0105 6.49327 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.6708 16.0105 6.49327 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1075 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.0235 16.0105 6.49327 0.55 protocols.relax.FastRelax: CMD: min -79.498 16.0188 6.25453 0.55 protocols.relax.FastRelax: MRP: 4 -79.498 -79.498 16.0188 6.25453 protocols.relax.FastRelax: CMD: accept_to_best -79.498 16.0188 6.25453 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.498 16.0188 6.25453 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_42.pdb protocols.relax.FastRelax: CMD: repeat 25710.1 11.3421 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 25710.1 11.3421 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3406.39 11.3421 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1087 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 98.8003 11.3421 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 114.734 11.3421 0 0.02805 protocols.relax.FastRelax: CMD: min -22.8576 11.7698 3.88695 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8576 11.7698 3.88695 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 65.9409 11.7698 3.88695 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1261 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 24.5046 11.7698 3.88695 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 28.4309 11.7698 3.88695 0.154 protocols.relax.FastRelax: CMD: min -52.5849 11.5633 5.92354 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.5849 11.5633 5.92354 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0838 11.5633 5.92354 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1043 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.2783 11.5633 5.92354 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.962 11.5633 5.92354 0.31955 protocols.relax.FastRelax: CMD: min -45.3947 11.6826 6.10607 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.3947 11.6826 6.10607 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.033 11.6826 6.10607 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 991 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.0388 11.6826 6.10607 0.55 protocols.relax.FastRelax: CMD: min -41.3823 11.4707 5.42691 0.55 protocols.relax.FastRelax: MRP: 0 -41.3823 -41.3823 11.4707 5.42691 protocols.relax.FastRelax: CMD: accept_to_best -41.3823 11.4707 5.42691 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.3823 11.4707 5.42691 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -41.3823 11.4707 5.42691 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4721 11.4707 5.42691 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1092 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.2992 11.4707 5.42691 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4957 11.4707 5.42691 0.02805 protocols.relax.FastRelax: CMD: min -86.9795 11.6625 5.72425 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -86.9795 11.6625 5.72425 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.2936 11.6625 5.72425 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1032 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2005 11.6625 5.72425 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.7736 11.6625 5.72425 0.154 protocols.relax.FastRelax: CMD: min -69.9503 11.5322 5.73811 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.9503 11.5322 5.73811 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5358 11.5322 5.73811 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1018 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5892 11.5322 5.73811 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3778 11.5322 5.73811 0.31955 protocols.relax.FastRelax: CMD: min -54.606 11.4905 5.64171 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.606 11.4905 5.64171 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.745 11.4905 5.64171 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.573 11.4905 5.64171 0.55 protocols.relax.FastRelax: CMD: min -46.7738 11.2185 5.2211 0.55 protocols.relax.FastRelax: MRP: 1 -46.7738 -46.7738 11.2185 5.2211 protocols.relax.FastRelax: CMD: accept_to_best -46.7738 11.2185 5.2211 0.55 protocols.relax.FastRelax: CMD: endrepeat -46.7738 11.2185 5.2211 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -46.7738 11.2185 5.2211 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5325 11.2185 5.2211 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1127 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.1804 11.2185 5.2211 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2458 11.2185 5.2211 0.02805 protocols.relax.FastRelax: CMD: min -97.4839 11.3338 5.48448 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.4839 11.3338 5.48448 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.8635 11.3338 5.48448 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1074 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.91 11.3338 5.48448 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5385 11.3338 5.48448 0.154 protocols.relax.FastRelax: CMD: min -76.3704 11.2247 5.29507 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.3704 11.2247 5.29507 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.4013 11.2247 5.29507 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1056 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.5861 11.2247 5.29507 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1303 11.2247 5.29507 0.31955 protocols.relax.FastRelax: CMD: min -61.0416 11.1768 5.27238 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.0416 11.1768 5.27238 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.4826 11.1768 5.27238 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1028 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.5039 11.1768 5.27238 0.55 protocols.relax.FastRelax: CMD: min -48.9333 11.1368 5.31455 0.55 protocols.relax.FastRelax: MRP: 2 -48.9333 -48.9333 11.1368 5.31455 protocols.relax.FastRelax: CMD: accept_to_best -48.9333 11.1368 5.31455 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.9333 11.1368 5.31455 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.9333 11.1368 5.31455 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7508 11.1368 5.31455 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1092 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1205 11.1368 5.31455 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.16 11.1368 5.31455 0.02805 protocols.relax.FastRelax: CMD: min -94.3165 11.3571 5.65971 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.3165 11.3571 5.65971 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1509 11.3571 5.65971 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1051 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.8964 11.3571 5.65971 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.9456 11.3571 5.65971 0.154 protocols.relax.FastRelax: CMD: min -72.0867 11.2258 5.52068 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.0867 11.2258 5.52068 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0115 11.2258 5.52068 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1021 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.6747 11.2258 5.52068 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.0298 11.2258 5.52068 0.31955 protocols.relax.FastRelax: CMD: min -62.6532 11.139 5.37076 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.6532 11.139 5.37076 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.7159 11.139 5.37076 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1004 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.7165 11.139 5.37076 0.55 protocols.relax.FastRelax: CMD: min -48.9616 11.144 5.32565 0.55 protocols.relax.FastRelax: MRP: 3 -48.9616 -48.9616 11.144 5.32565 protocols.relax.FastRelax: CMD: accept_to_best -48.9616 11.144 5.32565 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.9616 11.144 5.32565 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.9616 11.144 5.32565 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7354 11.144 5.32565 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1092 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1075 11.144 5.32565 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.1523 11.144 5.32565 0.02805 protocols.relax.FastRelax: CMD: min -93.4546 11.3695 5.71157 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.4546 11.3695 5.71157 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.3433 11.3695 5.71157 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1053 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.3985 11.3695 5.71157 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5948 11.3695 5.71157 0.154 protocols.relax.FastRelax: CMD: min -76.7233 11.2413 5.66602 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.7233 11.2413 5.66602 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8497 11.2413 5.66602 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1034 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.8719 11.2413 5.66602 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6198 11.2413 5.66602 0.31955 protocols.relax.FastRelax: CMD: min -61.2826 11.2196 5.61117 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.2826 11.2196 5.61117 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.6714 11.2196 5.61117 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1005 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.6751 11.2196 5.61117 0.55 protocols.relax.FastRelax: CMD: min -48.4653 11.1787 5.46825 0.55 protocols.relax.FastRelax: MRP: 4 -48.4653 -48.9616 11.144 5.32565 protocols.relax.FastRelax: CMD: accept_to_best -48.4653 11.1787 5.46825 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.4653 11.1787 5.46825 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_11.pdb protocols.relax.FastRelax: CMD: repeat 22777.9 11.4724 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22777.9 11.4724 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3785 11.4724 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1016 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.16696 11.4724 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -0.497333 11.4724 0 0.02805 protocols.relax.FastRelax: CMD: min -71.0859 10.9173 4.80597 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -71.0859 10.9173 4.80597 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.4621 10.9173 4.80597 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1057 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2554 10.9173 4.80597 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9176 10.9173 4.80597 0.154 protocols.relax.FastRelax: CMD: min -56.8072 10.9136 4.64906 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.8072 10.9136 4.64906 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9483 10.9136 4.64906 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1037 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.9289 10.9136 4.64906 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8197 10.9136 4.64906 0.31955 protocols.relax.FastRelax: CMD: min -81.4492 11.2425 5.69109 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4492 11.2425 5.69109 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.9962 11.2425 5.69109 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 998 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8212 11.2425 5.69109 0.55 protocols.relax.FastRelax: CMD: min -78.2101 11.6447 7.20683 0.55 protocols.relax.FastRelax: MRP: 0 -78.2101 -78.2101 11.6447 7.20683 protocols.relax.FastRelax: CMD: accept_to_best -78.2101 11.6447 7.20683 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.2101 11.6447 7.20683 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -78.2101 11.6447 7.20683 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -103.577 11.6447 7.20683 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 972 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.068 11.6447 7.20683 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -105.375 11.6447 7.20683 0.02805 protocols.relax.FastRelax: CMD: min -109.743 11.7435 7.57975 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.743 11.7435 7.57975 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -77.8923 11.7435 7.57975 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 965 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.5746 11.7435 7.57975 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.0421 11.7435 7.57975 0.154 protocols.relax.FastRelax: CMD: min -96.5755 11.6282 7.2795 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.5755 11.6282 7.2795 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.221 11.6282 7.2795 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 910 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.2325 11.6282 7.2795 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.2604 11.6282 7.2795 0.31955 protocols.relax.FastRelax: CMD: min -83.7217 11.6119 7.27508 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.7217 11.6119 7.27508 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0636 11.6119 7.27508 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 902 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8164 11.6119 7.27508 0.55 protocols.relax.FastRelax: CMD: min -85.9175 11.8012 7.39675 0.55 protocols.relax.FastRelax: MRP: 1 -85.9175 -85.9175 11.8012 7.39675 protocols.relax.FastRelax: CMD: accept_to_best -85.9175 11.8012 7.39675 0.55 protocols.relax.FastRelax: CMD: endrepeat -85.9175 11.8012 7.39675 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9175 11.8012 7.39675 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -112.068 11.8012 7.39675 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 988 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.898 11.8012 7.39675 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -113.552 11.8012 7.39675 0.02805 protocols.relax.FastRelax: CMD: min -125.2 12.1939 8.21501 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.2 12.1939 8.21501 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -93.4854 12.1939 8.21501 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 972 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.936 12.1939 8.21501 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -100.552 12.1939 8.21501 0.154 protocols.relax.FastRelax: CMD: min -109.448 12.0766 8.03802 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.448 12.0766 8.03802 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.5009 12.0766 8.03802 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 958 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.7195 12.0766 8.03802 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6272 12.0766 8.03802 0.31955 protocols.relax.FastRelax: CMD: min -99.408 12.0076 7.92707 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -99.408 12.0076 7.92707 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -84.7758 12.0076 7.92707 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 916 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.7758 12.0076 7.92707 0.55 protocols.relax.FastRelax: CMD: min -90.2017 11.8167 7.58394 0.55 protocols.relax.FastRelax: MRP: 2 -90.2017 -90.2017 11.8167 7.58394 protocols.relax.FastRelax: CMD: accept_to_best -90.2017 11.8167 7.58394 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.2017 11.8167 7.58394 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.2017 11.8167 7.58394 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.037 11.8167 7.58394 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 979 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -119.321 11.8167 7.58394 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -117.894 11.8167 7.58394 0.02805 protocols.relax.FastRelax: CMD: min -128.804 12.1435 8.16638 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -128.804 12.1435 8.16638 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -101.745 12.1435 8.16638 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 965 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.993 12.1435 8.16638 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -103.586 12.1435 8.16638 0.154 protocols.relax.FastRelax: CMD: min -113.349 12.1024 8.12383 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -113.349 12.1024 8.12383 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -99.863 12.1024 8.12383 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 943 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.941 12.1024 8.12383 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.88 12.1024 8.12383 0.31955 protocols.relax.FastRelax: CMD: min -100.984 12.0696 8.11603 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -100.984 12.0696 8.11603 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -85.0958 12.0696 8.11603 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 942 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.0958 12.0696 8.11603 0.55 protocols.relax.FastRelax: CMD: min -89.605 11.8115 7.46589 0.55 protocols.relax.FastRelax: MRP: 3 -89.605 -90.2017 11.8167 7.58394 protocols.relax.FastRelax: CMD: accept_to_best -89.605 11.8115 7.46589 0.55 protocols.relax.FastRelax: CMD: endrepeat -89.605 11.8115 7.46589 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -89.605 11.8115 7.46589 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.585 11.8115 7.46589 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 975 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.118 11.8115 7.46589 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -118.95 11.8115 7.46589 0.02805 protocols.relax.FastRelax: CMD: min -120.206 11.8653 7.48213 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -120.206 11.8653 7.48213 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -98.2625 11.8653 7.48213 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 929 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.594 11.8653 7.48213 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -110.053 11.8653 7.48213 0.154 protocols.relax.FastRelax: CMD: min -111.76 11.8401 7.43548 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -111.76 11.8401 7.43548 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -99.4408 11.8401 7.43548 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 985 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.4426 11.8401 7.43548 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.4724 11.8401 7.43548 0.31955 protocols.relax.FastRelax: CMD: min -101.839 11.8388 7.53952 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.839 11.8388 7.53952 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -87.5205 11.8388 7.53952 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 906 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.5248 11.8388 7.53952 0.55 protocols.relax.FastRelax: CMD: min -89.6068 11.8114 7.47087 0.55 protocols.relax.FastRelax: MRP: 4 -89.6068 -90.2017 11.8167 7.58394 protocols.relax.FastRelax: CMD: accept_to_best -89.6068 11.8114 7.47087 0.55 protocols.relax.FastRelax: CMD: endrepeat -89.6068 11.8114 7.47087 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_24.pdb protocols.relax.FastRelax: CMD: repeat 29265 12.892 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 29265 12.892 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 4183.8 12.892 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1035 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.8067 12.892 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -12.9225 12.892 0 0.02805 protocols.relax.FastRelax: CMD: min -90.5647 12.3793 3.1367 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.5647 12.3793 3.1367 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0566 12.3793 3.1367 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 973 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7265 12.3793 3.1367 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5443 12.3793 3.1367 0.154 protocols.relax.FastRelax: CMD: min -75.0657 12.3817 3.7412 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0657 12.3817 3.7412 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.3407 12.3817 3.7412 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 952 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7575 12.3817 3.7412 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.3489 12.3817 3.7412 0.31955 protocols.relax.FastRelax: CMD: min -59.6425 12.4459 3.60528 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.6425 12.4459 3.60528 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.7401 12.4459 3.60528 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 948 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.8925 12.4459 3.60528 0.55 protocols.relax.FastRelax: CMD: min -88.0688 12.1571 3.6652 0.55 protocols.relax.FastRelax: MRP: 0 -88.0688 -88.0688 12.1571 3.6652 protocols.relax.FastRelax: CMD: accept_to_best -88.0688 12.1571 3.6652 0.55 protocols.relax.FastRelax: CMD: endrepeat -88.0688 12.1571 3.6652 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -88.0688 12.1571 3.6652 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -120.651 12.1571 3.6652 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 973 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -122.64 12.1571 3.6652 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -121.982 12.1571 3.6652 0.02805 protocols.relax.FastRelax: CMD: min -129.175 12.2684 3.63291 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -129.175 12.2684 3.63291 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -109.425 12.2684 3.63291 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 969 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.027 12.2684 3.63291 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -111.919 12.2684 3.63291 0.154 protocols.relax.FastRelax: CMD: min -115.34 12.1022 3.79631 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -115.34 12.1022 3.79631 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -97.046 12.1022 3.79631 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 952 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.5153 12.1022 3.79631 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -98.226 12.1022 3.79631 0.31955 protocols.relax.FastRelax: CMD: min -101.606 12.1418 3.69802 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -101.606 12.1418 3.69802 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1351 12.1418 3.69802 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 932 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.1583 12.1418 3.69802 0.55 protocols.relax.FastRelax: CMD: min -96.8947 12.6479 4.11896 0.55 protocols.relax.FastRelax: MRP: 1 -96.8947 -96.8947 12.6479 4.11896 protocols.relax.FastRelax: CMD: accept_to_best -96.8947 12.6479 4.11896 0.55 protocols.relax.FastRelax: CMD: endrepeat -96.8947 12.6479 4.11896 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -96.8947 12.6479 4.11896 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -132.363 12.6479 4.11896 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 997 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -135.569 12.6479 4.11896 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -134.537 12.6479 4.11896 0.02805 protocols.relax.FastRelax: CMD: min -149.987 12.6565 4.09997 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -149.987 12.6565 4.09997 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -115.28 12.6565 4.09997 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1028 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -117.548 12.6565 4.09997 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -115.313 12.6565 4.09997 0.154 protocols.relax.FastRelax: CMD: min -130.756 12.7049 4.15214 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -130.756 12.7049 4.15214 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -113.651 12.7049 4.15214 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 991 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.795 12.7049 4.15214 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -112.425 12.7049 4.15214 0.31955 protocols.relax.FastRelax: CMD: min -115.88 12.7212 4.20099 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -115.88 12.7212 4.20099 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -94.9614 12.7212 4.20099 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 982 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.9821 12.7212 4.20099 0.55 protocols.relax.FastRelax: CMD: min -104.718 12.7066 4.22504 0.55 protocols.relax.FastRelax: MRP: 2 -104.718 -104.718 12.7066 4.22504 protocols.relax.FastRelax: CMD: accept_to_best -104.718 12.7066 4.22504 0.55 protocols.relax.FastRelax: CMD: endrepeat -104.718 12.7066 4.22504 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -104.718 12.7066 4.22504 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -137.866 12.7066 4.22504 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1030 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -139.238 12.7066 4.22504 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -138.183 12.7066 4.22504 0.02805 protocols.relax.FastRelax: CMD: min -145.373 12.6986 4.39858 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -145.373 12.6986 4.39858 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -117.504 12.6986 4.39858 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1066 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.347 12.6986 4.39858 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.17 12.6986 4.39858 0.154 protocols.relax.FastRelax: CMD: min -125.718 12.6625 4.30908 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -125.718 12.6625 4.30908 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -112.348 12.6625 4.30908 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 998 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -112.921 12.6625 4.30908 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -111.856 12.6625 4.30908 0.31955 protocols.relax.FastRelax: CMD: min -113.21 12.647 4.28584 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -113.21 12.647 4.28584 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -94.9618 12.647 4.28584 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 987 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.9626 12.647 4.28584 0.55 protocols.relax.FastRelax: CMD: min -103.853 12.7407 4.22614 0.55 protocols.relax.FastRelax: MRP: 3 -103.853 -104.718 12.7066 4.22504 protocols.relax.FastRelax: CMD: accept_to_best -103.853 12.7407 4.22614 0.55 protocols.relax.FastRelax: CMD: endrepeat -103.853 12.7407 4.22614 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -103.853 12.7407 4.22614 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -136.456 12.7407 4.22614 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1076 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -137.78 12.7407 4.22614 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -137.347 12.7407 4.22614 0.02805 protocols.relax.FastRelax: CMD: min -143.512 12.7567 4.35925 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -143.512 12.7567 4.35925 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -121.239 12.7567 4.35925 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1067 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.545 12.7567 4.35925 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -124.335 12.7567 4.35925 0.154 protocols.relax.FastRelax: CMD: min -129.902 12.7903 4.31009 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -129.902 12.7903 4.31009 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -116.835 12.7903 4.31009 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.836 12.7903 4.31009 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -115.806 12.7903 4.31009 0.31955 protocols.relax.FastRelax: CMD: min -116.694 12.7679 4.29747 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -116.694 12.7679 4.29747 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -98.4246 12.7679 4.29747 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1008 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.4249 12.7679 4.29747 0.55 protocols.relax.FastRelax: CMD: min -104.81 12.7536 4.22891 0.55 protocols.relax.FastRelax: MRP: 4 -104.81 -104.81 12.7536 4.22891 protocols.relax.FastRelax: CMD: accept_to_best -104.81 12.7536 4.22891 0.55 protocols.relax.FastRelax: CMD: endrepeat -104.81 12.7536 4.22891 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_29.pdb protocols.relax.FastRelax: CMD: repeat 22217.6 13.1781 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 22217.6 13.1781 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3428.27 13.1781 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1270 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 41.5267 13.1781 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 50.762 13.1781 0 0.02805 protocols.relax.FastRelax: CMD: min -35.7246 15.3646 5.10947 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -35.7246 15.3646 5.10947 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 21.6438 15.3646 5.10947 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1212 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.57219 15.3646 5.10947 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 6.67048 15.3646 5.10947 0.154 protocols.relax.FastRelax: CMD: min -51.8222 14.4901 4.76289 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -51.8222 14.4901 4.76289 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8561 14.4901 4.76289 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1271 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.9926 14.4901 4.76289 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.344 14.4901 4.76289 0.31955 protocols.relax.FastRelax: CMD: min -33.6073 14.5849 4.74609 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.6073 14.5849 4.74609 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.2473 14.5849 4.74609 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1201 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.44393 14.5849 4.74609 0.55 protocols.relax.FastRelax: CMD: min -33.6714 14.641 4.89658 0.55 protocols.relax.FastRelax: MRP: 0 -33.6714 -33.6714 14.641 4.89658 protocols.relax.FastRelax: CMD: accept_to_best -33.6714 14.641 4.89658 0.55 protocols.relax.FastRelax: CMD: endrepeat -33.6714 14.641 4.89658 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -33.6714 14.641 4.89658 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6267 14.641 4.89658 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1191 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.7289 14.641 4.89658 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1432 14.641 4.89658 0.02805 protocols.relax.FastRelax: CMD: min -76.3162 14.6355 4.89204 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.3162 14.6355 4.89204 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8398 14.6355 4.89204 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1152 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.9688 14.6355 4.89204 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1867 14.6355 4.89204 0.154 protocols.relax.FastRelax: CMD: min -64.3084 14.6309 4.88765 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.3084 14.6309 4.88765 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7881 14.6309 4.88765 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1142 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.8585 14.6309 4.88765 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7158 14.6309 4.88765 0.31955 protocols.relax.FastRelax: CMD: min -50.9416 14.7529 5.04028 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9416 14.7529 5.04028 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.1526 14.7529 5.04028 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1154 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.4555 14.7529 5.04028 0.55 protocols.relax.FastRelax: CMD: min -40.3686 14.9795 5.16967 0.55 protocols.relax.FastRelax: MRP: 1 -40.3686 -40.3686 14.9795 5.16967 protocols.relax.FastRelax: CMD: accept_to_best -40.3686 14.9795 5.16967 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.3686 14.9795 5.16967 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.3686 14.9795 5.16967 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.1063 14.9795 5.16967 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1186 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.3142 14.9795 5.16967 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7685 14.9795 5.16967 0.02805 protocols.relax.FastRelax: CMD: min -79.9631 14.9764 5.16511 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9631 14.9764 5.16511 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2896 14.9764 5.16511 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1149 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.2899 14.9764 5.16511 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5418 14.9764 5.16511 0.154 protocols.relax.FastRelax: CMD: min -68.6585 14.9741 5.16122 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6585 14.9741 5.16122 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.737 14.9741 5.16122 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1138 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7371 14.9741 5.16122 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6393 14.9741 5.16122 0.31955 protocols.relax.FastRelax: CMD: min -55.8155 14.9828 5.12599 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8155 14.9828 5.12599 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2442 14.9828 5.12599 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1137 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2442 14.9828 5.12599 0.55 protocols.relax.FastRelax: CMD: min -40.3682 14.9663 5.1777 0.55 protocols.relax.FastRelax: MRP: 2 -40.3682 -40.3686 14.9795 5.16967 protocols.relax.FastRelax: CMD: accept_to_best -40.3682 14.9663 5.1777 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.3682 14.9663 5.1777 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.3682 14.9663 5.1777 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0695 14.9663 5.1777 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1187 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.2695 14.9663 5.1777 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.725 14.9663 5.1777 0.02805 protocols.relax.FastRelax: CMD: min -79.9165 14.9622 5.17236 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9165 14.9622 5.17236 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2648 14.9622 5.17236 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1150 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.2651 14.9622 5.17236 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5186 14.9622 5.17236 0.154 protocols.relax.FastRelax: CMD: min -68.63 14.9589 5.16773 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.63 14.9589 5.16773 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.7351 14.9589 5.16773 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1139 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7351 14.9589 5.16773 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6394 14.9589 5.16773 0.31955 protocols.relax.FastRelax: CMD: min -56.3905 14.9423 5.27077 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.3905 14.9423 5.27077 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9828 14.9423 5.27077 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1137 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.992 14.9423 5.27077 0.55 protocols.relax.FastRelax: CMD: min -40.3656 14.9654 5.17589 0.55 protocols.relax.FastRelax: MRP: 3 -40.3656 -40.3686 14.9795 5.16967 protocols.relax.FastRelax: CMD: accept_to_best -40.3656 14.9654 5.17589 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.3656 14.9654 5.17589 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.3656 14.9654 5.17589 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0624 14.9654 5.17589 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1189 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.2545 14.9654 5.17589 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7103 14.9654 5.17589 0.02805 protocols.relax.FastRelax: CMD: min -79.9019 14.9612 5.17062 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9019 14.9612 5.17062 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2568 14.9612 5.17062 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1151 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.2571 14.9612 5.17062 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5109 14.9612 5.17062 0.154 protocols.relax.FastRelax: CMD: min -68.6237 14.958 5.16608 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6237 14.958 5.16608 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.7383 14.958 5.16608 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1140 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7383 14.958 5.16608 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6434 14.958 5.16608 0.31955 protocols.relax.FastRelax: CMD: min -55.7655 14.9668 5.13318 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.7655 14.9668 5.13318 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2201 14.9668 5.13318 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1137 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2288 14.9668 5.13318 0.55 protocols.relax.FastRelax: CMD: min -40.3633 14.9656 5.18079 0.55 protocols.relax.FastRelax: MRP: 4 -40.3633 -40.3686 14.9795 5.16967 protocols.relax.FastRelax: CMD: accept_to_best -40.3633 14.9656 5.18079 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.3633 14.9656 5.18079 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_3.pdb protocols.relax.FastRelax: CMD: repeat 26466.7 13.5364 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 26466.7 13.5364 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3487.59 13.5364 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1518 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 46.6242 13.5364 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 70.9654 13.5364 0 0.02805 protocols.relax.FastRelax: CMD: min -106.833 13.8578 2.25531 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.833 13.8578 2.25531 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3047 13.8578 2.25531 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1487 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.9611 13.8578 2.25531 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.0286 13.8578 2.25531 0.154 protocols.relax.FastRelax: CMD: min -101.378 13.7125 2.43003 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -101.378 13.7125 2.43003 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5597 13.7125 2.43003 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1431 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.2645 13.7125 2.43003 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.5851 13.7125 2.43003 0.31955 protocols.relax.FastRelax: CMD: min -83.4987 13.6737 2.47683 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.4987 13.6737 2.47683 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.4655 13.6737 2.47683 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1431 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.6311 13.6737 2.47683 0.55 protocols.relax.FastRelax: CMD: min -87.2864 13.4704 3.00192 0.55 protocols.relax.FastRelax: MRP: 0 -87.2864 -87.2864 13.4704 3.00192 protocols.relax.FastRelax: CMD: accept_to_best -87.2864 13.4704 3.00192 0.55 protocols.relax.FastRelax: CMD: endrepeat -87.2864 13.4704 3.00192 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -87.2864 13.4704 3.00192 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -117.706 13.4704 3.00192 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1574 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -121.41 13.4704 3.00192 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -120.047 13.4704 3.00192 0.02805 protocols.relax.FastRelax: CMD: min -150.279 13.6877 2.82339 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -150.279 13.6877 2.82339 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9927 13.6877 2.82339 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1463 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.5131 13.6877 2.82339 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.1403 13.6877 2.82339 0.154 protocols.relax.FastRelax: CMD: min -117.35 13.564 2.88655 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -117.35 13.564 2.88655 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -94.4366 13.564 2.88655 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1410 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.5522 13.564 2.88655 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -93.8544 13.564 2.88655 0.31955 protocols.relax.FastRelax: CMD: min -107.145 13.452 2.95011 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -107.145 13.452 2.95011 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -89.8683 13.452 2.95011 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1402 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.0162 13.452 2.95011 0.55 protocols.relax.FastRelax: CMD: min -99.2992 13.4498 3.03683 0.55 protocols.relax.FastRelax: MRP: 1 -99.2992 -99.2992 13.4498 3.03683 protocols.relax.FastRelax: CMD: accept_to_best -99.2992 13.4498 3.03683 0.55 protocols.relax.FastRelax: CMD: endrepeat -99.2992 13.4498 3.03683 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -99.2992 13.4498 3.03683 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -130.799 13.4498 3.03683 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1708 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -131.945 13.4498 3.03683 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -131.215 13.4498 3.03683 0.02805 protocols.relax.FastRelax: CMD: min -149.955 13.5372 3.18735 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -149.955 13.5372 3.18735 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -108.71 13.5372 3.18735 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1641 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -115.444 13.5372 3.18735 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -113.486 13.5372 3.18735 0.154 protocols.relax.FastRelax: CMD: min -126.132 13.4914 3.02387 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -126.132 13.4914 3.02387 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -109.478 13.4914 3.02387 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1553 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -109.856 13.4914 3.02387 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -108.557 13.4914 3.02387 0.31955 protocols.relax.FastRelax: CMD: min -110.271 13.4768 3.00191 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -110.271 13.4768 3.00191 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -89.6816 13.4768 3.00191 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1534 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.8096 13.4768 3.00191 0.55 protocols.relax.FastRelax: CMD: min -103.778 13.4197 3.03201 0.55 protocols.relax.FastRelax: MRP: 2 -103.778 -103.778 13.4197 3.03201 protocols.relax.FastRelax: CMD: accept_to_best -103.778 13.4197 3.03201 0.55 protocols.relax.FastRelax: CMD: endrepeat -103.778 13.4197 3.03201 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -103.778 13.4197 3.03201 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -134.281 13.4197 3.03201 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1645 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -134.999 13.4197 3.03201 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -134.408 13.4197 3.03201 0.02805 protocols.relax.FastRelax: CMD: min -155.219 13.4889 3.10395 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -155.219 13.4889 3.10395 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -106.18 13.4889 3.10395 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1537 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.172 13.4889 3.10395 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -108.315 13.4889 3.10395 0.154 protocols.relax.FastRelax: CMD: min -128.236 13.444 3.02283 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -128.236 13.444 3.02283 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -107.38 13.444 3.02283 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1544 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.992 13.444 3.02283 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -106.373 13.444 3.02283 0.31955 protocols.relax.FastRelax: CMD: min -114.654 13.4346 2.9395 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -114.654 13.4346 2.9395 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6259 13.4346 2.9395 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1543 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.8376 13.4346 2.9395 0.55 protocols.relax.FastRelax: CMD: min -104.876 13.3979 3.07807 0.55 protocols.relax.FastRelax: MRP: 3 -104.876 -104.876 13.3979 3.07807 protocols.relax.FastRelax: CMD: accept_to_best -104.876 13.3979 3.07807 0.55 protocols.relax.FastRelax: CMD: endrepeat -104.876 13.3979 3.07807 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -104.876 13.3979 3.07807 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -135.13 13.3979 3.07807 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1584 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -136.142 13.3979 3.07807 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -134.967 13.3979 3.07807 0.02805 protocols.relax.FastRelax: CMD: min -150.333 13.5042 3.19959 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -150.333 13.5042 3.19959 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -109.091 13.5042 3.19959 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1673 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.876 13.5042 3.19959 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -118.812 13.5042 3.19959 0.154 protocols.relax.FastRelax: CMD: min -132.179 13.448 3.08813 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -132.179 13.448 3.08813 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -115.454 13.448 3.08813 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1623 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.165 13.448 3.08813 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -108.797 13.448 3.08813 0.31955 protocols.relax.FastRelax: CMD: min -113.287 13.435 3.07217 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -113.287 13.435 3.07217 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -94.3495 13.435 3.07217 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1616 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.3651 13.435 3.07217 0.55 protocols.relax.FastRelax: CMD: min -103.244 13.4229 3.15009 0.55 protocols.relax.FastRelax: MRP: 4 -103.244 -104.876 13.3979 3.07807 protocols.relax.FastRelax: CMD: accept_to_best -103.244 13.4229 3.15009 0.55 protocols.relax.FastRelax: CMD: endrepeat -103.244 13.4229 3.15009 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein4/decoy_1.pdb protocols.relax.FastRelax: CMD: repeat 24654.4 14.1079 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 24654.4 14.1079 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 3449.3 14.1079 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1416 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 71.4419 14.1079 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 104.905 14.1079 0 0.02805 protocols.relax.FastRelax: CMD: min -38.9758 9.81586 7.47317 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -38.9758 9.81586 7.47317 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 22.3353 9.81586 7.47317 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1105 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.04585 9.81586 7.47317 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -6.68484 9.81586 7.47317 0.154 protocols.relax.FastRelax: CMD: min -52.8203 10.2495 7.14408 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.8203 10.2495 7.14408 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.4439 10.2495 7.14408 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1085 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.3923 10.2495 7.14408 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.0833 10.2495 7.14408 0.31955 protocols.relax.FastRelax: CMD: min -43.0165 10.2561 7.24216 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.0165 10.2561 7.24216 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0771 10.2561 7.24216 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1063 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.2146 10.2561 7.24216 0.55 protocols.relax.FastRelax: CMD: min -51.5047 10.741 7.26122 0.55 protocols.relax.FastRelax: MRP: 0 -51.5047 -51.5047 10.741 7.26122 protocols.relax.FastRelax: CMD: accept_to_best -51.5047 10.741 7.26122 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.5047 10.741 7.26122 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.5047 10.741 7.26122 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8026 10.741 7.26122 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1056 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.9485 10.741 7.26122 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.0111 10.741 7.26122 0.02805 protocols.relax.FastRelax: CMD: min -86.5359 10.8076 7.16807 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -86.5359 10.8076 7.16807 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7215 10.8076 7.16807 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1048 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.7856 10.8076 7.16807 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.0791 10.8076 7.16807 0.154 protocols.relax.FastRelax: CMD: min -76.4329 10.6699 7.28138 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4329 10.6699 7.28138 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3021 10.6699 7.28138 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1040 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.3742 10.6699 7.28138 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.422 10.6699 7.28138 0.31955 protocols.relax.FastRelax: CMD: min -65.1746 10.6525 7.34837 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.1746 10.6525 7.34837 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6798 10.6525 7.34837 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1032 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.6863 10.6525 7.34837 0.55 protocols.relax.FastRelax: CMD: min -58.1292 10.838 7.12793 0.55 protocols.relax.FastRelax: MRP: 1 -58.1292 -58.1292 10.838 7.12793 protocols.relax.FastRelax: CMD: accept_to_best -58.1292 10.838 7.12793 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.1292 10.838 7.12793 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.1292 10.838 7.12793 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.5407 10.838 7.12793 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1048 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.0479 10.838 7.12793 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.4427 10.838 7.12793 0.02805 protocols.relax.FastRelax: CMD: min -100.121 10.7345 7.13307 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -100.121 10.7345 7.13307 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.8645 10.7345 7.13307 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1131 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.4117 10.7345 7.13307 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.6699 10.7345 7.13307 0.154 protocols.relax.FastRelax: CMD: min -86.1555 10.7177 7.17929 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.1555 10.7177 7.17929 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4227 10.7177 7.17929 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1002 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5154 10.7177 7.17929 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.4961 10.7177 7.17929 0.31955 protocols.relax.FastRelax: CMD: min -74.0208 10.7016 7.21901 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.0208 10.7016 7.21901 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2323 10.7016 7.21901 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 993 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.261 10.7016 7.21901 0.55 protocols.relax.FastRelax: CMD: min -62.6308 10.9327 7.11608 0.55 protocols.relax.FastRelax: MRP: 2 -62.6308 -62.6308 10.9327 7.11608 protocols.relax.FastRelax: CMD: accept_to_best -62.6308 10.9327 7.11608 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.6308 10.9327 7.11608 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.6308 10.9327 7.11608 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.7057 10.9327 7.11608 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1055 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.1409 10.9327 7.11608 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.5435 10.9327 7.11608 0.02805 protocols.relax.FastRelax: CMD: min -94.6855 11.0467 6.94071 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.6855 11.0467 6.94071 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.706 11.0467 6.94071 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1029 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.0949 11.0467 6.94071 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.97 11.0467 6.94071 0.154 protocols.relax.FastRelax: CMD: min -83.7934 10.992 7.01314 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.7934 10.992 7.01314 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.4148 10.992 7.01314 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1021 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.4148 10.992 7.01314 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.5176 10.992 7.01314 0.31955 protocols.relax.FastRelax: CMD: min -74.6506 10.8376 7.16369 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.6506 10.8376 7.16369 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.1957 10.8376 7.16369 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1013 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.2069 10.8376 7.16369 0.55 protocols.relax.FastRelax: CMD: min -65.3676 11.1607 7.37296 0.55 protocols.relax.FastRelax: MRP: 3 -65.3676 -65.3676 11.1607 7.37296 protocols.relax.FastRelax: CMD: accept_to_best -65.3676 11.1607 7.37296 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.3676 11.1607 7.37296 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.3676 11.1607 7.37296 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.6437 11.1607 7.37296 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1047 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.8663 11.1607 7.37296 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2209 11.1607 7.37296 0.02805 protocols.relax.FastRelax: CMD: min -108.278 10.9358 7.42945 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.278 10.9358 7.42945 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.2565 10.9358 7.42945 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1054 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.8409 10.9358 7.42945 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.785 10.9358 7.42945 0.154 protocols.relax.FastRelax: CMD: min -90.733 11.0267 7.4382 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.733 11.0267 7.4382 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.9086 11.0267 7.4382 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1012 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.0409 11.0267 7.4382 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.8429 11.0267 7.4382 0.31955 protocols.relax.FastRelax: CMD: min -75.7314 11.0008 7.47219 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7314 11.0008 7.47219 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4269 11.0008 7.47219 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 997 rotamers at 70 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.4395 11.0008 7.47219 0.55 protocols.relax.FastRelax: CMD: min -68.8266 11.6678 7.54642 0.55 protocols.relax.FastRelax: MRP: 4 -68.8266 -68.8266 11.6678 7.54642 protocols.relax.FastRelax: CMD: accept_to_best -68.8266 11.6678 7.54642 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.8266 11.6678 7.54642 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/belenprotein4/decoy_21.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_6.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_8.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_11.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_35.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_15.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_47.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_16.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_14.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_38.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_13.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_1.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_23.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_0.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_18.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_12.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_42.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_49.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_33.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_19.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_24.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_43.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_36.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_32.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_17.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_31.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_40.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_5.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_46.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_48.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_41.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_44.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_20.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_30.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_28.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_9.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_10.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_7.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_29.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_37.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_25.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_34.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_4.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_39.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_45.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_27.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_22.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_2.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_3.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein4/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 211 atoms in 1-70 (RMSD 69.5752340) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 66.4431604) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 62.2228484) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 65.5588727) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 69.2836751) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 70.5422600) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 67.0252132) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 68.1413632) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 66.8692955) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 64.0734226) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 65.1051420) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 67.5436642) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 57.7311541) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 69.8082756) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 60.9107931) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 62.5080972) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 65.1054596) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 62.8203398) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 69.8794222) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 66.9832920) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 64.9927824) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 147130.7664707) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD 0.0000000) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 211 atoms in 1-70 (RMSD nan)
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 | |
|---|---|---|---|
| 25 | outputs/belenprotein4/decoy_40.pdb | NaN | -120.634823 |
| 9 | outputs/belenprotein4/decoy_13.pdb | 65.105142 | -114.400978 |
| 16 | outputs/belenprotein4/decoy_49.pdb | 62.820340 | -113.387985 |
| 32 | outputs/belenprotein4/decoy_30.pdb | NaN | -107.064290 |
| 34 | outputs/belenprotein4/decoy_9.pdb | NaN | -106.308898 |
| 48 | outputs/belenprotein4/decoy_26.pdb | NaN | -104.875594 |
| 46 | outputs/belenprotein4/decoy_2.pdb | NaN | -104.810479 |
| 41 | outputs/belenprotein4/decoy_4.pdb | NaN | -104.209692 |
| 5 | outputs/belenprotein4/decoy_47.pdb | 67.025213 | -101.602366 |
| 26 | outputs/belenprotein4/decoy_5.pdb | NaN | -100.107298 |
| 12 | outputs/belenprotein4/decoy_0.pdb | 69.808276 | -96.184490 |
| 33 | outputs/belenprotein4/decoy_28.pdb | NaN | -95.202138 |
| 21 | outputs/belenprotein4/decoy_36.pdb | 0.000000 | -95.140626 |
| 15 | outputs/belenprotein4/decoy_42.pdb | 65.105460 | -94.881620 |
| 27 | outputs/belenprotein4/decoy_46.pdb | NaN | -94.181407 |
| 36 | outputs/belenprotein4/decoy_7.pdb | NaN | -94.134721 |
| 14 | outputs/belenprotein4/decoy_12.pdb | 62.508097 | -92.727401 |
| 22 | outputs/belenprotein4/decoy_32.pdb | NaN | -91.774437 |
| 45 | outputs/belenprotein4/decoy_22.pdb | NaN | -90.201737 |
| 18 | outputs/belenprotein4/decoy_19.pdb | 66.983292 | -90.117321 |
| 2 | outputs/belenprotein4/decoy_11.pdb | 65.558873 | -87.294624 |
| 20 | outputs/belenprotein4/decoy_43.pdb | 147130.766471 | -86.418754 |
| 0 | outputs/belenprotein4/decoy_6.pdb | 66.443160 | -86.047106 |
| 39 | outputs/belenprotein4/decoy_25.pdb | NaN | -85.817491 |
| 37 | outputs/belenprotein4/decoy_29.pdb | NaN | -85.493890 |
| 30 | outputs/belenprotein4/decoy_44.pdb | NaN | -85.325204 |
| 29 | outputs/belenprotein4/decoy_41.pdb | NaN | -85.198884 |
| 24 | outputs/belenprotein4/decoy_31.pdb | NaN | -84.748192 |
| 8 | outputs/belenprotein4/decoy_38.pdb | 64.073423 | -81.898999 |
| 6 | outputs/belenprotein4/decoy_16.pdb | 68.141363 | -81.686073 |
| 7 | outputs/belenprotein4/decoy_14.pdb | 66.869295 | -81.163777 |
| 23 | outputs/belenprotein4/decoy_17.pdb | NaN | -80.885576 |
| 35 | outputs/belenprotein4/decoy_10.pdb | NaN | -79.751365 |
| 43 | outputs/belenprotein4/decoy_45.pdb | NaN | -79.498044 |
| 17 | outputs/belenprotein4/decoy_33.pdb | 69.879422 | -78.676259 |
| 13 | outputs/belenprotein4/decoy_18.pdb | 60.910793 | -78.105605 |
| 1 | outputs/belenprotein4/decoy_8.pdb | 62.222848 | -77.494717 |
| 19 | outputs/belenprotein4/decoy_24.pdb | 64.992782 | -76.177304 |
| 11 | outputs/belenprotein4/decoy_23.pdb | 57.731154 | -73.951740 |
| 4 | outputs/belenprotein4/decoy_15.pdb | 70.542260 | -72.538610 |
| 40 | outputs/belenprotein4/decoy_34.pdb | NaN | -69.890766 |
| 10 | outputs/belenprotein4/decoy_1.pdb | 67.543664 | -69.098752 |
| 31 | outputs/belenprotein4/decoy_20.pdb | NaN | -67.736889 |
| 28 | outputs/belenprotein4/decoy_48.pdb | NaN | -66.879019 |
| 3 | outputs/belenprotein4/decoy_35.pdb | 69.283675 | -65.976135 |
| 42 | outputs/belenprotein4/decoy_39.pdb | NaN | -63.482465 |
| 38 | outputs/belenprotein4/decoy_37.pdb | NaN | -59.467351 |
| 44 | outputs/belenprotein4/decoy_27.pdb | NaN | -48.961571 |
| 47 | outputs/belenprotein4/decoy_3.pdb | NaN | -40.368570 |
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([[nan, nan],
[nan, 1.]])
In [32]:
decoy_40 = prs.pose_from_pdb('outputs/belenprotein4/decoy_40.pdb')
view = ngl.show_rosetta(decoy_33)
view
core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_40.pdb' automatically determined to be of type PDB
In [33]:
decoy_13 = prs.pose_from_pdb('outputs/belenprotein4/decoy_13.pdb')
view = ngl.show_rosetta(decoy_13)
view
core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_13.pdb' automatically determined to be of type PDB
In [34]:
decoy_49 = prs.pose_from_pdb('outputs/belenprotein4/decoy_49.pdb')
view = ngl.show_rosetta(decoy_13)
view
core.import_pose.import_pose: File 'outputs/belenprotein4/decoy_49.pdb' automatically determined to be of type PDB
In [ ]: