In [16]:
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=-1077757687 seed_offset=0 real_seed=-1077757687 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-1077757687 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 [17]:
!pip install pandas
!pip install nglview
import os
import glob
import shutil
import pandas as pd
import nglview as ngl
import pyrosetta as prs
prs.init()
from pyrosetta import rosetta
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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=-292025599 seed_offset=0 real_seed=-292025599 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-292025599 RG_type=mt19937
Setting up score functions that will be used across parts¶
In [18]:
scorefxn_low = prs.create_score_function('score3')
scorefxn_high = prs.get_fa_scorefxn()
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015
Loading the native (solved crystal) structure¶
In [19]:
native_pose = prs.pose_from_sequence('VELENVELENVELENVELENVELENVELENVELENVELEN')
We can check the amino acid sequence of the structure with a very simple command.
In [20]:
native_pose.sequence()
Out[20]:
'VELENVELENVELENVELENVELENVELENVELENVELEN'
We can also assign the correct secondary structure.
In [21]:
DSSP = prs.rosetta.protocols.moves.DsspMover()
DSSP.apply(native_pose) # populates the pose's Pose.secstruct
protocols.DsspMover: LLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLL
Hint: The amino acids are also called residues!¶
Let's view more information about the first residue of the protein.
In [22]:
print(native_pose.residue(1))
Residue 1: VAL:NtermProteinFull (VAL, V): Base: VAL Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS HYDROPHOBIC ALIPHATIC METALBINDING ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O 1H 2H 3H HA Side-chain atoms: CB CG1 CG2 HB 1HG1 2HG1 3HG1 1HG2 2HG2 3HG2 Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39023, -2.76825e-07 CB : 1.99237, -0.754793, -1.23171 CG1: 0.840495, -1.27412, -2.07917 CG2: 2.89353, 0.158977, -2.04814 1H : -0.333807, -0.942641, -1.1544e-16 2H : -0.333807, 0.471321, 0.816351 3H : -0.333807, 0.471321, -0.816351 HA : 1.80407, -0.509306, 0.900196 HB : 2.56111, -1.62218, -0.896283 1HG1: 1.23639, -1.80522, -2.94524 2HG1: 0.22967, -1.95391, -1.48546 3HG1: 0.230228, -0.436436, -2.41613 1HG2: 3.26831, -0.381409, -2.91691 2HG2: 2.32604, 1.02918, -2.37856 3HG2: 3.73321, 0.485226, -1.43415 Mirrored relative to coordinates in ResidueType: FALSE
In [23]:
pose = prs.pose_from_sequence(native_pose.sequence())
test_pose = prs.Pose()
test_pose.assign(pose)
test_pose.pdb_info().name('Linearized Pose')
In [24]:
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 [25]:
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_full_atom = prs.SwitchResidueTypeSetMover('fa_standard')
In [26]:
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. Full Atom Score: 13662.811988426225 Centroid Score: 141.55468291150834
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 [27]:
# 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: VAL:NtermProteinFull (VAL, V): Base: VAL Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS HYDROPHOBIC ALIPHATIC ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O H Side-chain atoms: CB CEN Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39023, -2.76825e-07 CB : 2.02323, -0.75937, -1.21501 CEN: 2.35114, -1.33435, -1.40602 H : -0.5, -0.433013, -0.75 Mirrored relative to coordinates in ResidueType: FALSE Centroid Score: 141.55468291150834
Setting up the folding algorithm¶
In [31]:
# Loading the files with the pre-computed fragmets
long_frag_filename = 'data/random/aat000_09_05.200_v1_3'
long_frag_length = 9
short_frag_filename = 'data/random/aat000_03_05.200_v1_3'
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/belenprotein1/decoy' # The prefix of the filenames to store the results
Loading the fragmets¶
In [32]:
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/aat000_09_05.200_v1_3 core.fragments.ConstantLengthFragSet: finished reading top 200 3mer fragments from file data/random/aat000_03_05.200_v1_3
Q: How many 9-mer and 3-mer fragments do we have in our database?¶
TBD
Setting up the MonteCarlo search¶
In [33]:
# Making sure the structure is in centroid-only mode for the search
test_pose.assign(pose)
to_centroid.apply(test_pose)
In [34]:
# 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 [35]:
mc = prs.MonteCarlo(test_pose, scorefxn_low, kT)
trial = prs.TrialMover(folding_mover, mc)
In [36]:
# 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 [37]:
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 [38]:
scores = [0] * (jobs + 1)
scores[0] = scorefxn_low(test_pose)
In [39]:
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/belenprotein1/decoy_47.pdb
In [40]:
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 14178.2 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14178.2 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1956.18 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 52.7489 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 55.0952 0 0 0.02805 protocols.relax.FastRelax: CMD: min 54.5904 0.0358354 0.0358354 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 54.5904 0.0358354 0.0358354 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 98.4204 0.0358354 0.0358354 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 391 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 95.9962 0.0358354 0.0358354 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 98.8918 0.0358354 0.0358354 0.154 protocols.relax.FastRelax: CMD: min -11.4152 4.31948 4.31948 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -11.4152 4.31948 4.31948 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -5.86055 4.31948 4.31948 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.6345 4.31948 4.31948 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -8.19588 4.31948 4.31948 0.31955 protocols.relax.FastRelax: CMD: min -8.21097 4.32028 4.32028 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -8.21097 4.32028 4.32028 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 0.128196 4.32028 4.32028 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.125175 4.32028 4.32028 0.55 protocols.relax.FastRelax: CMD: min -8.52342 5.32287 5.32287 0.55 protocols.relax.FastRelax: MRP: 0 -8.52342 -8.52342 5.32287 5.32287 protocols.relax.FastRelax: CMD: accept_to_best -8.52342 5.32287 5.32287 0.55 protocols.relax.FastRelax: CMD: endrepeat -8.52342 5.32287 5.32287 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -8.52342 5.32287 5.32287 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -19.7542 5.32287 5.32287 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.8838 5.32287 5.32287 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -20.7444 5.32287 5.32287 0.02805 protocols.relax.FastRelax: CMD: min -20.7622 5.32278 5.32278 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -20.7622 5.32278 5.32278 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.0473 5.32278 5.32278 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.0473 5.32278 5.32278 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -17.857 5.32278 5.32278 0.154 protocols.relax.FastRelax: CMD: min -17.8669 5.32269 5.32269 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -17.8669 5.32269 5.32269 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.3237 5.32269 5.32269 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.3237 5.32269 5.32269 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0443 5.32269 5.32269 0.31955 protocols.relax.FastRelax: CMD: min -14.0482 5.32256 5.32256 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.0482 5.32256 5.32256 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.72448 5.32256 5.32256 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.72448 5.32256 5.32256 0.55 protocols.relax.FastRelax: CMD: min -10.1737 5.60142 5.60142 0.55 protocols.relax.FastRelax: MRP: 1 -10.1737 -10.1737 5.60142 5.60142 protocols.relax.FastRelax: CMD: accept_to_best -10.1737 5.60142 5.60142 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.1737 5.60142 5.60142 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -10.1737 5.60142 5.60142 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.2004 5.60142 5.60142 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.3326 5.60142 5.60142 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1966 5.60142 5.60142 0.02805 protocols.relax.FastRelax: CMD: min -21.2142 5.60135 5.60135 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -21.2142 5.60135 5.60135 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5652 5.60135 5.60135 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5652 5.60135 5.60135 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3796 5.60135 5.60135 0.154 protocols.relax.FastRelax: CMD: min -18.3893 5.60126 5.60126 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.3893 5.60126 5.60126 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.932 5.60126 5.60126 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.932 5.60126 5.60126 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.6594 5.60126 5.60126 0.31955 protocols.relax.FastRelax: CMD: min -14.663 5.60111 5.60111 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.663 5.60111 5.60111 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.46842 5.60111 5.60111 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.46842 5.60111 5.60111 0.55 protocols.relax.FastRelax: CMD: min -10.1729 5.60445 5.60445 0.55 protocols.relax.FastRelax: MRP: 2 -10.1729 -10.1737 5.60142 5.60142 protocols.relax.FastRelax: CMD: accept_to_best -10.1729 5.60445 5.60445 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.1729 5.60445 5.60445 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -10.1729 5.60445 5.60445 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.2017 5.60445 5.60445 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.331 5.60445 5.60445 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.195 5.60445 5.60445 0.02805 protocols.relax.FastRelax: CMD: min -21.2125 5.60439 5.60439 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -21.2125 5.60439 5.60439 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5636 5.60439 5.60439 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5636 5.60439 5.60439 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3779 5.60439 5.60439 0.154 protocols.relax.FastRelax: CMD: min -18.3876 5.60432 5.60432 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.3876 5.60432 5.60432 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9303 5.60432 5.60432 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.9303 5.60432 5.60432 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.6576 5.60432 5.60432 0.31955 protocols.relax.FastRelax: CMD: min -14.6613 5.60418 5.60418 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.6613 5.60418 5.60418 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.46665 5.60418 5.60418 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.46665 5.60418 5.60418 0.55 protocols.relax.FastRelax: CMD: min -10.1402 5.57899 5.57899 0.55 protocols.relax.FastRelax: MRP: 3 -10.1402 -10.1737 5.60142 5.60142 protocols.relax.FastRelax: CMD: accept_to_best -10.1402 5.57899 5.57899 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.1402 5.57899 5.57899 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -10.1402 5.57899 5.57899 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1611 5.57899 5.57899 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.3219 5.57899 5.57899 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.187 5.57899 5.57899 0.02805 protocols.relax.FastRelax: CMD: min -21.2046 5.57894 5.57894 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -21.2046 5.57894 5.57894 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5761 5.57894 5.57894 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5761 5.57894 5.57894 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3918 5.57894 5.57894 0.154 protocols.relax.FastRelax: CMD: min -18.4016 5.57886 5.57886 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.4016 5.57886 5.57886 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9708 5.57886 5.57886 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.9708 5.57886 5.57886 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7003 5.57886 5.57886 0.31955 protocols.relax.FastRelax: CMD: min -14.7038 5.57873 5.57873 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.7038 5.57873 5.57873 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.54887 5.57873 5.57873 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.54888 5.57873 5.57873 0.55 protocols.relax.FastRelax: CMD: min -10.1374 5.57117 5.57117 0.55 protocols.relax.FastRelax: MRP: 4 -10.1374 -10.1737 5.60142 5.60142 protocols.relax.FastRelax: CMD: accept_to_best -10.1374 5.57117 5.57117 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.1374 5.57117 5.57117 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_27.pdb protocols.relax.FastRelax: CMD: repeat 11703.5 6.91941 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11703.5 6.91941 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1866.01 6.91941 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 64.8292 6.91941 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 68.4034 6.91941 0 0.02805 protocols.relax.FastRelax: CMD: min 42.3378 7.06676 3.92317 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 42.3378 7.06676 3.92317 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 99.6749 7.06676 3.92317 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 62.5814 7.06676 3.92317 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 64.5003 7.06676 3.92317 0.154 protocols.relax.FastRelax: CMD: min -1.8362 10.8232 7.22081 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -1.8362 10.8232 7.22081 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 5.76793 10.8232 7.22081 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.51391 10.8232 7.22081 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 3.93591 10.8232 7.22081 0.31955 protocols.relax.FastRelax: CMD: min 3.91362 10.8245 7.2228 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight 3.91362 10.8245 7.2228 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 11.9385 10.8245 7.2228 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 11.7479 10.8245 7.2228 0.55 protocols.relax.FastRelax: CMD: min -4.99397 8.54263 5.83549 0.55 protocols.relax.FastRelax: MRP: 0 -4.99397 -4.99397 8.54263 5.83549 protocols.relax.FastRelax: CMD: accept_to_best -4.99397 8.54263 5.83549 0.55 protocols.relax.FastRelax: CMD: endrepeat -4.99397 8.54263 5.83549 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -4.99397 8.54263 5.83549 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -16.2816 8.54263 5.83549 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.2995 8.54263 5.83549 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.071 8.54263 5.83549 0.02805 protocols.relax.FastRelax: CMD: min -18.0999 8.542 5.83905 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.0999 8.542 5.83905 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.6514 8.542 5.83905 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.3972 8.542 5.83905 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.1492 8.542 5.83905 0.154 protocols.relax.FastRelax: CMD: min -14.1734 8.54207 5.842 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -14.1734 8.54207 5.842 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -9.56594 8.54207 5.842 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.0095 8.54207 5.842 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -9.73171 8.54207 5.842 0.31955 protocols.relax.FastRelax: CMD: min -9.73634 8.54213 5.84339 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -9.73634 8.54213 5.84339 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -4.44206 8.54213 5.84339 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.44207 8.54213 5.84339 0.55 protocols.relax.FastRelax: CMD: min -5.39845 8.21834 5.67867 0.55 protocols.relax.FastRelax: MRP: 1 -5.39845 -5.39845 8.21834 5.67867 protocols.relax.FastRelax: CMD: accept_to_best -5.39845 8.21834 5.67867 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.39845 8.21834 5.67867 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.39845 8.21834 5.67867 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -16.7403 8.21834 5.67867 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.7542 8.21834 5.67867 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5249 8.21834 5.67867 0.02805 protocols.relax.FastRelax: CMD: min -18.5539 8.21782 5.68257 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5539 8.21782 5.68257 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0901 8.21782 5.68257 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.8122 8.21782 5.68257 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.5632 8.21782 5.68257 0.154 protocols.relax.FastRelax: CMD: min -14.5872 8.21788 5.6856 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -14.5872 8.21788 5.6856 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -9.95978 8.21788 5.6856 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.4065 8.21788 5.6856 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1272 8.21788 5.6856 0.31955 protocols.relax.FastRelax: CMD: min -10.1316 8.21796 5.68699 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.1316 8.21796 5.68699 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -4.80861 8.21796 5.68699 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.80861 8.21796 5.68699 0.55 protocols.relax.FastRelax: CMD: min -5.42611 8.21324 5.67328 0.55 protocols.relax.FastRelax: MRP: 2 -5.42611 -5.42611 8.21324 5.67328 protocols.relax.FastRelax: CMD: accept_to_best -5.42611 8.21324 5.67328 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.42611 8.21324 5.67328 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.42611 8.21324 5.67328 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -16.7758 8.21324 5.67328 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.8231 8.21324 5.67328 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5986 8.21324 5.67328 0.02805 protocols.relax.FastRelax: CMD: min -18.6275 8.21272 5.6772 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6275 8.21272 5.6772 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.2551 8.21272 5.6772 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.8791 8.21272 5.6772 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.6328 8.21272 5.6772 0.154 protocols.relax.FastRelax: CMD: min -14.6558 8.21278 5.68021 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -14.6558 8.21278 5.68021 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.0778 8.21278 5.68021 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.439 8.21278 5.68021 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1596 8.21278 5.68021 0.31955 protocols.relax.FastRelax: CMD: min -10.164 8.21287 5.6816 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.164 8.21287 5.6816 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -4.83924 8.21287 5.6816 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.83925 8.21287 5.6816 0.55 protocols.relax.FastRelax: CMD: min -5.42879 8.22257 5.68229 0.55 protocols.relax.FastRelax: MRP: 3 -5.42879 -5.42879 8.22257 5.68229 protocols.relax.FastRelax: CMD: accept_to_best -5.42879 8.22257 5.68229 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.42879 8.22257 5.68229 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.42879 8.22257 5.68229 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -16.7889 8.22257 5.68229 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.8291 8.22257 5.68229 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.6036 8.22257 5.68229 0.02805 protocols.relax.FastRelax: CMD: min -18.6326 8.22203 5.68619 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6326 8.22203 5.68619 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.2421 8.22203 5.68619 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.2739 8.22203 5.68619 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0641 8.22203 5.68619 0.154 protocols.relax.FastRelax: CMD: min -14.0788 8.22172 5.68902 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -14.0788 8.22172 5.68902 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1699 8.22172 5.68902 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.4469 8.22172 5.68902 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1672 8.22172 5.68902 0.31955 protocols.relax.FastRelax: CMD: min -10.1717 8.2218 5.69041 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.1717 8.2218 5.69041 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -4.84263 8.2218 5.69041 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.84264 8.2218 5.69041 0.55 protocols.relax.FastRelax: CMD: min -5.42849 8.2246 5.68431 0.55 protocols.relax.FastRelax: MRP: 4 -5.42849 -5.42879 8.22257 5.68229 protocols.relax.FastRelax: CMD: accept_to_best -5.42849 8.2246 5.68431 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.42849 8.2246 5.68431 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_15.pdb protocols.relax.FastRelax: CMD: repeat 10044.6 8.57337 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10044.6 8.57337 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1824.58 8.57337 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 69.9785 8.57337 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 71.7359 8.57337 0 0.02805 protocols.relax.FastRelax: CMD: min -14.2479 8.8518 8.13131 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -14.2479 8.8518 8.13131 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -3.65999 8.8518 8.13131 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.5264 8.8518 8.13131 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -5.83221 8.8518 8.13131 0.154 protocols.relax.FastRelax: CMD: min -12.0399 9.08924 8.55018 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -12.0399 9.08924 8.55018 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -5.59973 9.08924 8.55018 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.60975 9.08924 8.55018 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -5.10368 9.08924 8.55018 0.31955 protocols.relax.FastRelax: CMD: min -5.11147 9.08955 8.55036 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -5.11147 9.08955 8.55036 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 4.51864 9.08955 8.55036 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 4.46365 9.08955 8.55036 0.55 protocols.relax.FastRelax: CMD: min -6.30566 15.8811 15.5281 0.55 protocols.relax.FastRelax: MRP: 0 -6.30566 -6.30566 15.8811 15.5281 protocols.relax.FastRelax: CMD: accept_to_best -6.30566 15.8811 15.5281 0.55 protocols.relax.FastRelax: CMD: endrepeat -6.30566 15.8811 15.5281 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -6.30566 15.8811 15.5281 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4631 15.8811 15.5281 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.026 15.8811 15.5281 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.8379 15.8811 15.5281 0.02805 protocols.relax.FastRelax: CMD: min -18.8488 15.8801 15.5271 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.8488 15.8801 15.5271 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -15.1913 15.8801 15.5271 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.5556 15.8801 15.5271 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.3609 15.8801 15.5271 0.154 protocols.relax.FastRelax: CMD: min -15.3647 15.8801 15.527 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.3647 15.8801 15.527 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -11.7428 15.8801 15.527 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.7428 15.8801 15.527 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -11.4572 15.8801 15.527 0.31955 protocols.relax.FastRelax: CMD: min -11.4586 15.8801 15.5269 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -11.4586 15.8801 15.5269 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.01825 15.8801 15.5269 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.01862 15.8801 15.5269 0.55 protocols.relax.FastRelax: CMD: min -6.4292 16.3588 15.9371 0.55 protocols.relax.FastRelax: MRP: 1 -6.4292 -6.4292 16.3588 15.9371 protocols.relax.FastRelax: CMD: accept_to_best -6.4292 16.3588 15.9371 0.55 protocols.relax.FastRelax: CMD: endrepeat -6.4292 16.3588 15.9371 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -6.4292 16.3588 15.9371 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.6032 16.3588 15.9371 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.0527 16.3588 15.9371 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.8428 16.3588 15.9371 0.02805 protocols.relax.FastRelax: CMD: min -18.8537 16.3578 15.9361 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.8537 16.3578 15.9361 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7717 16.3578 15.9361 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.4899 16.3578 15.9361 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.295 16.3578 15.9361 0.154 protocols.relax.FastRelax: CMD: min -15.2989 16.3578 15.936 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.2989 16.3578 15.936 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -11.6727 16.3578 15.936 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.6727 16.3578 15.936 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -11.3868 16.3578 15.936 0.31955 protocols.relax.FastRelax: CMD: min -11.3882 16.3578 15.9359 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -11.3882 16.3578 15.9359 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -5.94131 16.3578 15.9359 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.94131 16.3578 15.9359 0.55 protocols.relax.FastRelax: CMD: min -6.3532 16.3375 15.9202 0.55 protocols.relax.FastRelax: MRP: 2 -6.3532 -6.4292 16.3588 15.9371 protocols.relax.FastRelax: CMD: accept_to_best -6.3532 16.3375 15.9202 0.55 protocols.relax.FastRelax: CMD: endrepeat -6.3532 16.3375 15.9202 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -6.3532 16.3375 15.9202 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5479 16.3375 15.9202 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.1322 16.3375 15.9202 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.9486 16.3375 15.9202 0.02805 protocols.relax.FastRelax: CMD: min -18.9593 16.3364 15.9191 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.9593 16.3364 15.9191 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -15.3874 16.3364 15.9191 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.6392 16.3364 15.9191 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.4426 16.3364 15.9191 0.154 protocols.relax.FastRelax: CMD: min -15.4463 16.3363 15.919 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.4463 16.3363 15.919 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -11.7884 16.3363 15.919 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.7884 16.3363 15.919 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -11.4999 16.3363 15.919 0.31955 protocols.relax.FastRelax: CMD: min -11.5013 16.3363 15.9189 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -11.5013 16.3363 15.9189 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.00678 16.3363 15.9189 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.00678 16.3363 15.9189 0.55 protocols.relax.FastRelax: CMD: min -6.35256 16.3337 15.9152 0.55 protocols.relax.FastRelax: MRP: 3 -6.35256 -6.4292 16.3588 15.9371 protocols.relax.FastRelax: CMD: accept_to_best -6.35256 16.3337 15.9152 0.55 protocols.relax.FastRelax: CMD: endrepeat -6.35256 16.3337 15.9152 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -6.35256 16.3337 15.9152 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5516 16.3337 15.9152 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.1622 16.3337 15.9152 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.9553 16.3337 15.9152 0.02805 protocols.relax.FastRelax: CMD: min -18.9661 16.3327 15.9142 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.9661 16.3327 15.9142 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9413 16.3327 15.9142 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.5894 16.3327 15.9142 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.3927 16.3327 15.9142 0.154 protocols.relax.FastRelax: CMD: min -15.3964 16.3326 15.914 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.3964 16.3326 15.914 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -11.7359 16.3326 15.914 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.7359 16.3326 15.914 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -11.4473 16.3326 15.914 0.31955 protocols.relax.FastRelax: CMD: min -11.4487 16.3326 15.914 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -11.4487 16.3326 15.914 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -5.95037 16.3326 15.914 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.95038 16.3326 15.914 0.55 protocols.relax.FastRelax: CMD: min -6.35456 16.344 15.9277 0.55 protocols.relax.FastRelax: MRP: 4 -6.35456 -6.4292 16.3588 15.9371 protocols.relax.FastRelax: CMD: accept_to_best -6.35456 16.344 15.9277 0.55 protocols.relax.FastRelax: CMD: endrepeat -6.35456 16.344 15.9277 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_0.pdb protocols.relax.FastRelax: CMD: repeat 15590.4 10.9124 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15590.4 10.9124 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1920.47 10.9124 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 384 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 114.594 10.9124 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 131.002 10.9124 0 0.02805 protocols.relax.FastRelax: CMD: min -36.7614 9.79423 3.27011 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.7614 9.79423 3.27011 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -0.0786108 9.79423 3.27011 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.78095 9.79423 3.27011 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -1.52528 9.79423 3.27011 0.154 protocols.relax.FastRelax: CMD: min -23.9869 9.52476 3.29044 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -23.9869 9.52476 3.29044 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0242 9.52476 3.29044 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 398 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.1349 9.52476 3.29044 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -12.2564 9.52476 3.29044 0.31955 protocols.relax.FastRelax: CMD: min -12.3774 9.52459 3.29051 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -12.3774 9.52459 3.29051 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 4.1966 9.52459 3.29051 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 393 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.67442 9.52459 3.29051 0.55 protocols.relax.FastRelax: CMD: min -13.2557 9.32835 4.16759 0.55 protocols.relax.FastRelax: MRP: 0 -13.2557 -13.2557 9.32835 4.16759 protocols.relax.FastRelax: CMD: accept_to_best -13.2557 9.32835 4.16759 0.55 protocols.relax.FastRelax: CMD: endrepeat -13.2557 9.32835 4.16759 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -13.2557 9.32835 4.16759 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -29.366 9.32835 4.16759 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.606 9.32835 4.16759 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.3249 9.32835 4.16759 0.02805 protocols.relax.FastRelax: CMD: min -31.4226 9.32907 4.1676 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.4226 9.32907 4.1676 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.9211 9.32907 4.1676 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 382 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.9211 9.32907 4.1676 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.5354 9.32907 4.1676 0.154 protocols.relax.FastRelax: CMD: min -25.5981 9.32971 4.16763 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -25.5981 9.32971 4.16763 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4258 9.32971 4.16763 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 379 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5438 9.32971 4.16763 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.01 9.32971 4.16763 0.31955 protocols.relax.FastRelax: CMD: min -18.1298 9.32843 4.16933 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.1298 9.32843 4.16933 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.04156 9.32843 4.16933 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 376 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.04162 9.32843 4.16933 0.55 protocols.relax.FastRelax: CMD: min -16.2506 9.05948 5.16863 0.55 protocols.relax.FastRelax: MRP: 1 -16.2506 -16.2506 9.05948 5.16863 protocols.relax.FastRelax: CMD: accept_to_best -16.2506 9.05948 5.16863 0.55 protocols.relax.FastRelax: CMD: endrepeat -16.2506 9.05948 5.16863 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -16.2506 9.05948 5.16863 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.7987 9.05948 5.16863 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.055 9.05948 5.16863 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.7561 9.05948 5.16863 0.02805 protocols.relax.FastRelax: CMD: min -33.8839 9.05823 5.17623 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8839 9.05823 5.17623 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0334 9.05823 5.17623 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 385 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0335 9.05823 5.17623 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.6234 9.05823 5.17623 0.154 protocols.relax.FastRelax: CMD: min -27.7032 9.05721 5.18281 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.7032 9.05721 5.18281 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.0767 9.05721 5.18281 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 377 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.4013 9.05721 5.18281 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -19.8389 9.05721 5.18281 0.31955 protocols.relax.FastRelax: CMD: min -19.9671 9.05427 5.18966 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -19.9671 9.05427 5.18966 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.33536 9.05427 5.18966 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 376 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.33541 9.05427 5.18966 0.55 protocols.relax.FastRelax: CMD: min -22.4361 9.70319 6.19382 0.55 protocols.relax.FastRelax: MRP: 2 -22.4361 -22.4361 9.70319 6.19382 protocols.relax.FastRelax: CMD: accept_to_best -22.4361 9.70319 6.19382 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.4361 9.70319 6.19382 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.4361 9.70319 6.19382 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0023 9.70319 6.19382 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.5974 9.70319 6.19382 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -40.337 9.70319 6.19382 0.02805 protocols.relax.FastRelax: CMD: min -40.5537 9.70172 6.2022 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -40.5537 9.70172 6.2022 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.4279 9.70172 6.2022 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 389 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.3694 9.70172 6.2022 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0758 9.70172 6.2022 0.154 protocols.relax.FastRelax: CMD: min -36.1818 9.7008 6.20592 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.1818 9.7008 6.20592 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.6732 9.7008 6.20592 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 382 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6732 9.7008 6.20592 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2389 9.7008 6.20592 0.31955 protocols.relax.FastRelax: CMD: min -30.2797 9.70077 6.20246 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.2797 9.70077 6.20246 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.998 9.70077 6.20246 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 380 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.0341 9.70077 6.20246 0.55 protocols.relax.FastRelax: CMD: min -25.0725 9.59321 6.03219 0.55 protocols.relax.FastRelax: MRP: 3 -25.0725 -25.0725 9.59321 6.03219 protocols.relax.FastRelax: CMD: accept_to_best -25.0725 9.59321 6.03219 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.0725 9.59321 6.03219 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -25.0725 9.59321 6.03219 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -41.4593 9.59321 6.03219 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 399 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.9509 9.59321 6.03219 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6953 9.59321 6.03219 0.02805 protocols.relax.FastRelax: CMD: min -41.9962 9.59095 6.0494 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9962 9.59095 6.0494 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.941 9.59095 6.0494 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 377 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.8777 9.59095 6.0494 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.589 9.59095 6.0494 0.154 protocols.relax.FastRelax: CMD: min -37.7227 9.5896 6.06001 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -37.7227 9.5896 6.06001 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -32.2771 9.5896 6.06001 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 367 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.2772 9.5896 6.06001 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8478 9.5896 6.06001 0.31955 protocols.relax.FastRelax: CMD: min -31.873 9.58978 6.0594 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.873 9.58978 6.0594 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.6798 9.58978 6.0594 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 366 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.7046 9.58978 6.0594 0.55 protocols.relax.FastRelax: CMD: min -25.0727 9.59394 6.03313 0.55 protocols.relax.FastRelax: MRP: 4 -25.0727 -25.0727 9.59394 6.03313 protocols.relax.FastRelax: CMD: accept_to_best -25.0727 9.59394 6.03313 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.0727 9.59394 6.03313 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_38.pdb protocols.relax.FastRelax: CMD: repeat 9488.97 7.69441 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9488.97 7.69441 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1778.2 7.69441 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 43.632 7.69441 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 45.5408 7.69441 0 0.02805 protocols.relax.FastRelax: CMD: min 45.4574 7.69594 0.00729721 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 45.4574 7.69594 0.00729721 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 82.3277 7.69594 0.00729721 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 401 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 80.3401 7.69594 0.00729721 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 82.6882 7.69594 0.00729721 0.154 protocols.relax.FastRelax: CMD: min -11.225 12.9366 10.1115 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -11.225 12.9366 10.1115 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -4.21812 12.9366 10.1115 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.0577 12.9366 10.1115 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -9.50016 12.9366 10.1115 0.31955 protocols.relax.FastRelax: CMD: min -9.52781 12.9386 10.1126 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -9.52781 12.9386 10.1126 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 1.05856 12.9386 10.1126 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.03662 12.9386 10.1126 0.55 protocols.relax.FastRelax: CMD: min -14.6986 14.1781 10.9352 0.55 protocols.relax.FastRelax: MRP: 0 -14.6986 -14.6986 14.1781 10.9352 protocols.relax.FastRelax: CMD: accept_to_best -14.6986 14.1781 10.9352 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.6986 14.1781 10.9352 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.6986 14.1781 10.9352 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -27.6177 14.1781 10.9352 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.3803 14.1781 10.9352 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.1608 14.1781 10.9352 0.02805 protocols.relax.FastRelax: CMD: min -31.1733 14.1785 10.9361 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.1733 14.1785 10.9361 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.8983 14.1785 10.9361 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.9543 14.1785 10.9361 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.6622 14.1785 10.9361 0.154 protocols.relax.FastRelax: CMD: min -26.6788 14.1785 10.9366 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.6788 14.1785 10.9366 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.2534 14.1785 10.9366 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.4152 14.1785 10.9366 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0442 14.1785 10.9366 0.31955 protocols.relax.FastRelax: CMD: min -21.0871 14.1777 10.9365 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.0871 14.1777 10.9365 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0507 14.1777 10.9365 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.822 14.1777 10.9365 0.55 protocols.relax.FastRelax: CMD: min -16.8729 15.1503 12.4469 0.55 protocols.relax.FastRelax: MRP: 1 -16.8729 -16.8729 15.1503 12.4469 protocols.relax.FastRelax: CMD: accept_to_best -16.8729 15.1503 12.4469 0.55 protocols.relax.FastRelax: CMD: endrepeat -16.8729 15.1503 12.4469 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -16.8729 15.1503 12.4469 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -29.8285 15.1503 12.4469 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.9191 15.1503 12.4469 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7379 15.1503 12.4469 0.02805 protocols.relax.FastRelax: CMD: min -31.7496 15.1504 12.4475 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.7496 15.1504 12.4475 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2207 15.1504 12.4475 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.2207 15.1504 12.4475 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9734 15.1504 12.4475 0.154 protocols.relax.FastRelax: CMD: min -27.986 15.1508 12.4486 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.986 15.1508 12.4486 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.3909 15.1508 12.4486 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.3909 15.1508 12.4486 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.0286 15.1508 12.4486 0.31955 protocols.relax.FastRelax: CMD: min -23.0659 15.1515 12.4502 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.0659 15.1515 12.4502 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.1922 15.1515 12.4502 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.6587 15.1515 12.4502 0.55 protocols.relax.FastRelax: CMD: min -17.6995 15.3788 12.7733 0.55 protocols.relax.FastRelax: MRP: 2 -17.6995 -17.6995 15.3788 12.7733 protocols.relax.FastRelax: CMD: accept_to_best -17.6995 15.3788 12.7733 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.6995 15.3788 12.7733 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.6995 15.3788 12.7733 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -30.6485 15.3788 12.7733 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.1351 15.3788 12.7733 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.9577 15.3788 12.7733 0.02805 protocols.relax.FastRelax: CMD: min -31.9693 15.3792 12.7741 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.9693 15.3792 12.7741 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5138 15.3792 12.7741 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.5138 15.3792 12.7741 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2716 15.3792 12.7741 0.154 protocols.relax.FastRelax: CMD: min -28.2839 15.3796 12.7751 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.2839 15.3796 12.7751 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.7844 15.3796 12.7751 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.7844 15.3796 12.7751 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4296 15.3796 12.7751 0.31955 protocols.relax.FastRelax: CMD: min -23.4659 15.3799 12.7765 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.4659 15.3799 12.7765 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.735 15.3799 12.7765 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.2026 15.3799 12.7765 0.55 protocols.relax.FastRelax: CMD: min -17.7021 15.378 12.7733 0.55 protocols.relax.FastRelax: MRP: 3 -17.7021 -17.7021 15.378 12.7733 protocols.relax.FastRelax: CMD: accept_to_best -17.7021 15.378 12.7733 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.7021 15.378 12.7733 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.7021 15.378 12.7733 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -30.6464 15.378 12.7733 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.1207 15.378 12.7733 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.9428 15.378 12.7733 0.02805 protocols.relax.FastRelax: CMD: min -31.9544 15.3784 12.7741 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.9544 15.3784 12.7741 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4909 15.3784 12.7741 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.491 15.3784 12.7741 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2482 15.3784 12.7741 0.154 protocols.relax.FastRelax: CMD: min -28.2609 15.3788 12.7752 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.2609 15.3788 12.7752 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.7513 15.3788 12.7752 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.7513 15.3788 12.7752 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.3957 15.3788 12.7752 0.31955 protocols.relax.FastRelax: CMD: min -23.4337 15.3791 12.7766 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.4337 15.3791 12.7766 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.6891 15.3791 12.7766 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.2089 15.3791 12.7766 0.55 protocols.relax.FastRelax: CMD: min -17.6999 15.383 12.7862 0.55 protocols.relax.FastRelax: MRP: 4 -17.6999 -17.7021 15.378 12.7733 protocols.relax.FastRelax: CMD: accept_to_best -17.6999 15.383 12.7862 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.6999 15.383 12.7862 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_42.pdb protocols.relax.FastRelax: CMD: repeat 10908.2 9.20636 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10908.2 9.20636 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1862.32 9.20636 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 382 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 66.3245 9.20636 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 71.5706 9.20636 0 0.02805 protocols.relax.FastRelax: CMD: min 50.3314 9.47074 3.28903 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 50.3314 9.47074 3.28903 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 65.1919 9.47074 3.28903 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 360 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 64.5662 9.47074 3.28903 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 65.607 9.47074 3.28903 0.154 protocols.relax.FastRelax: CMD: min 65.5381 9.47103 3.28944 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 65.5381 9.47103 3.28944 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 84.8479 9.47103 3.28944 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 354 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 84.8479 9.47103 3.28944 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 86.3706 9.47103 3.28944 0.31955 protocols.relax.FastRelax: CMD: min -7.71604 8.54872 5.19642 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -7.71604 8.54872 5.19642 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -2.29297 8.54872 5.19642 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.23366 8.54872 5.19642 0.55 protocols.relax.FastRelax: CMD: min -12.5659 11.7366 8.38172 0.55 protocols.relax.FastRelax: MRP: 0 -12.5659 -12.5659 11.7366 8.38172 protocols.relax.FastRelax: CMD: accept_to_best -12.5659 11.7366 8.38172 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.5659 11.7366 8.38172 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.5659 11.7366 8.38172 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.6605 11.7366 8.38172 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.9679 11.7366 8.38172 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -22.8374 11.7366 8.38172 0.02805 protocols.relax.FastRelax: CMD: min -22.8478 11.7363 8.38128 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8478 11.7363 8.38128 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.3048 11.7363 8.38128 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.3744 11.7363 8.38128 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2084 11.7363 8.38128 0.154 protocols.relax.FastRelax: CMD: min -20.2133 11.7362 8.381 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.2133 11.7362 8.381 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.1231 11.7362 8.381 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.1231 11.7362 8.381 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -16.8794 11.7362 8.381 0.31955 protocols.relax.FastRelax: CMD: min -16.8806 11.7362 8.38097 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -16.8806 11.7362 8.38097 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.2387 11.7362 8.38097 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.2387 11.7362 8.38097 0.55 protocols.relax.FastRelax: CMD: min -12.8537 12.3805 9.08211 0.55 protocols.relax.FastRelax: MRP: 1 -12.8537 -12.8537 12.3805 9.08211 protocols.relax.FastRelax: CMD: accept_to_best -12.8537 12.3805 9.08211 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.8537 12.3805 9.08211 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.8537 12.3805 9.08211 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.9684 12.3805 9.08211 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.1383 12.3805 9.08211 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -23.018 12.3805 9.08211 0.02805 protocols.relax.FastRelax: CMD: min -23.0284 12.38 9.0815 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -23.0284 12.38 9.0815 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.6858 12.38 9.0815 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.6858 12.38 9.0815 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5216 12.38 9.0815 0.154 protocols.relax.FastRelax: CMD: min -20.5268 12.3796 9.08103 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.5268 12.3796 9.08103 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.47 12.3796 9.08103 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.47 12.3796 9.08103 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.229 12.3796 9.08103 0.31955 protocols.relax.FastRelax: CMD: min -17.2302 12.3794 9.08075 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.2302 12.3794 9.08075 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6381 12.3794 9.08075 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.6381 12.3794 9.08075 0.55 protocols.relax.FastRelax: CMD: min -12.8541 12.3851 9.08128 0.55 protocols.relax.FastRelax: MRP: 2 -12.8541 -12.8541 12.3851 9.08128 protocols.relax.FastRelax: CMD: accept_to_best -12.8541 12.3851 9.08128 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.8541 12.3851 9.08128 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.8541 12.3851 9.08128 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.976 12.3851 9.08128 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.1492 12.3851 9.08128 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -23.0288 12.3851 9.08128 0.02805 protocols.relax.FastRelax: CMD: min -23.0392 12.3846 9.08067 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -23.0392 12.3846 9.08067 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.6937 12.3846 9.08067 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.6937 12.3846 9.08067 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5293 12.3846 9.08067 0.154 protocols.relax.FastRelax: CMD: min -20.5344 12.3842 9.0802 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.5344 12.3842 9.0802 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.4739 12.3842 9.0802 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.4739 12.3842 9.0802 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2326 12.3842 9.0802 0.31955 protocols.relax.FastRelax: CMD: min -17.2339 12.3839 9.07991 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.2339 12.3839 9.07991 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6362 12.3839 9.07991 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.6362 12.3839 9.07991 0.55 protocols.relax.FastRelax: CMD: min -12.8554 12.3852 9.08097 0.55 protocols.relax.FastRelax: MRP: 3 -12.8554 -12.8554 12.3852 9.08097 protocols.relax.FastRelax: CMD: accept_to_best -12.8554 12.3852 9.08097 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.8554 12.3852 9.08097 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.8554 12.3852 9.08097 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.9683 12.3852 9.08097 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.1395 12.3852 9.08097 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -23.0193 12.3852 9.08097 0.02805 protocols.relax.FastRelax: CMD: min -23.0297 12.3847 9.08036 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -23.0297 12.3847 9.08036 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.687 12.3847 9.08036 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.687 12.3847 9.08036 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5228 12.3847 9.08036 0.154 protocols.relax.FastRelax: CMD: min -20.528 12.3843 9.07989 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.528 12.3843 9.07989 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.4712 12.3843 9.07989 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.4712 12.3843 9.07989 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2302 12.3843 9.07989 0.31955 protocols.relax.FastRelax: CMD: min -17.2315 12.384 9.0796 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.2315 12.384 9.0796 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6394 12.384 9.0796 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.6394 12.384 9.0796 0.55 protocols.relax.FastRelax: CMD: min -12.8543 12.3868 9.08172 0.55 protocols.relax.FastRelax: MRP: 4 -12.8543 -12.8554 12.3852 9.08097 protocols.relax.FastRelax: CMD: accept_to_best -12.8543 12.3868 9.08172 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.8543 12.3868 9.08172 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_39.pdb protocols.relax.FastRelax: CMD: repeat 11867.2 7.87221 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11867.2 7.87221 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2081.59 7.87221 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 378 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 33.2547 7.87221 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 35.2291 7.87221 0 0.02805 protocols.relax.FastRelax: CMD: min 35.1697 7.87324 0.00507764 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 35.1697 7.87324 0.00507764 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 73.4467 7.87324 0.00507764 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 368 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 60.4895 7.87324 0.00507764 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 62.2656 7.87324 0.00507764 0.154 protocols.relax.FastRelax: CMD: min 62.0329 7.87056 0.0137394 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 62.0329 7.87056 0.0137394 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 94.8421 7.87056 0.0137394 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 356 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 93.7859 7.87056 0.0137394 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 96.2711 7.87056 0.0137394 0.31955 protocols.relax.FastRelax: CMD: min -10.4424 8.26513 6.48508 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.4424 8.26513 6.48508 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.39581 8.26513 6.48508 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.27933 8.26513 6.48508 0.55 protocols.relax.FastRelax: CMD: min -13.3575 10.9115 12.2274 0.55 protocols.relax.FastRelax: MRP: 0 -13.3575 -13.3575 10.9115 12.2274 protocols.relax.FastRelax: CMD: accept_to_best -13.3575 10.9115 12.2274 0.55 protocols.relax.FastRelax: CMD: endrepeat -13.3575 10.9115 12.2274 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -13.3575 10.9115 12.2274 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2442 10.9115 12.2274 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9427 10.9115 12.2274 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -28.7645 10.9115 12.2274 0.02805 protocols.relax.FastRelax: CMD: min -28.797 10.9098 12.2255 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -28.797 10.9098 12.2255 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3228 10.9098 12.2255 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.3228 10.9098 12.2255 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0793 10.9098 12.2255 0.154 protocols.relax.FastRelax: CMD: min -25.1034 10.9086 12.2242 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -25.1034 10.9086 12.2242 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5715 10.9086 12.2242 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 400 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.5719 10.9086 12.2242 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2146 10.9086 12.2242 0.31955 protocols.relax.FastRelax: CMD: min -20.2404 10.9081 12.2238 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -20.2404 10.9081 12.2238 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4419 10.9081 12.2238 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 398 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.4018 10.9081 12.2238 0.55 protocols.relax.FastRelax: CMD: min -19.3116 11.6658 13.5971 0.55 protocols.relax.FastRelax: MRP: 1 -19.3116 -19.3116 11.6658 13.5971 protocols.relax.FastRelax: CMD: accept_to_best -19.3116 11.6658 13.5971 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.3116 11.6658 13.5971 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.3116 11.6658 13.5971 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7726 11.6658 13.5971 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.7014 11.6658 13.5971 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4995 11.6658 13.5971 0.02805 protocols.relax.FastRelax: CMD: min -34.5356 11.6635 13.5953 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.5356 11.6635 13.5953 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.603 11.6635 13.5953 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6031 11.6635 13.5953 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.3275 11.6635 13.5953 0.154 protocols.relax.FastRelax: CMD: min -30.3563 11.6621 13.5943 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.3563 11.6621 13.5943 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2291 11.6621 13.5943 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.6698 11.6621 13.5943 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3459 11.6621 13.5943 0.31955 protocols.relax.FastRelax: CMD: min -25.3612 11.6605 13.5932 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.3612 11.6605 13.5932 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.1855 11.6605 13.5932 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 404 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.334 11.6605 13.5932 0.55 protocols.relax.FastRelax: CMD: min -22.8376 11.8712 13.3056 0.55 protocols.relax.FastRelax: MRP: 2 -22.8376 -22.8376 11.8712 13.3056 protocols.relax.FastRelax: CMD: accept_to_best -22.8376 11.8712 13.3056 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.8376 11.8712 13.3056 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8376 11.8712 13.3056 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8749 11.8712 13.3056 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.8518 11.8712 13.3056 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.463 11.8712 13.3056 0.02805 protocols.relax.FastRelax: CMD: min -37.5081 11.8725 13.3058 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.5081 11.8725 13.3058 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.0208 11.8725 13.3058 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.6094 11.8725 13.3058 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.3578 11.8725 13.3058 0.154 protocols.relax.FastRelax: CMD: min -33.3817 11.8708 13.3049 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.3817 11.8708 13.3049 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6974 11.8708 13.3049 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.698 11.8708 13.3049 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.3287 11.8708 13.3049 0.31955 protocols.relax.FastRelax: CMD: min -28.3489 11.87 13.3045 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -28.3489 11.87 13.3045 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.3177 11.87 13.3045 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.2517 11.87 13.3045 0.55 protocols.relax.FastRelax: CMD: min -22.9898 12.0534 13.4553 0.55 protocols.relax.FastRelax: MRP: 3 -22.9898 -22.9898 12.0534 13.4553 protocols.relax.FastRelax: CMD: accept_to_best -22.9898 12.0534 13.4553 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.9898 12.0534 13.4553 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.9898 12.0534 13.4553 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.2067 12.0534 13.4553 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.2958 12.0534 13.4553 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9642 12.0534 13.4553 0.02805 protocols.relax.FastRelax: CMD: min -38.0025 12.0539 13.4551 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -38.0025 12.0539 13.4551 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5884 12.0539 13.4551 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.8698 12.0539 13.4551 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6154 12.0539 13.4551 0.154 protocols.relax.FastRelax: CMD: min -33.639 12.0523 13.4541 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.639 12.0523 13.4541 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.9025 12.0523 13.4541 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.903 12.0523 13.4541 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5296 12.0523 13.4541 0.31955 protocols.relax.FastRelax: CMD: min -28.5499 12.0515 13.4536 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5499 12.0515 13.4536 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4407 12.0515 13.4536 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.4021 12.0515 13.4536 0.55 protocols.relax.FastRelax: CMD: min -22.9752 12.0574 13.4513 0.55 protocols.relax.FastRelax: MRP: 4 -22.9752 -22.9898 12.0534 13.4553 protocols.relax.FastRelax: CMD: accept_to_best -22.9752 12.0574 13.4513 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.9752 12.0574 13.4513 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_11.pdb protocols.relax.FastRelax: CMD: repeat 12232.5 8.17051 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12232.5 8.17051 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1820.6 8.17051 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 399 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 50.0328 8.17051 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 51.7983 8.17051 0 0.02805 protocols.relax.FastRelax: CMD: min 135.204 8.30324 5.23799 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 135.204 8.30324 5.23799 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 610.209 8.30324 5.23799 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 363 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 471.723 8.30324 5.23799 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 497.147 8.30324 5.23799 0.154 protocols.relax.FastRelax: CMD: min -11.7016 8.05676 6.36454 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -11.7016 8.05676 6.36454 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -4.84501 8.05676 6.36454 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.25757 8.05676 6.36454 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -5.72276 8.05676 6.36454 0.31955 protocols.relax.FastRelax: CMD: min -10.5962 8.05087 6.58598 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.5962 8.05087 6.58598 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.66148 8.05087 6.58598 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.66576 8.05087 6.58598 0.55 protocols.relax.FastRelax: CMD: min -8.89471 8.05381 6.93815 0.55 protocols.relax.FastRelax: MRP: 0 -8.89471 -8.89471 8.05381 6.93815 protocols.relax.FastRelax: CMD: accept_to_best -8.89471 8.05381 6.93815 0.55 protocols.relax.FastRelax: CMD: endrepeat -8.89471 8.05381 6.93815 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -8.89471 8.05381 6.93815 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8233 8.05381 6.93815 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.5469 8.05381 6.93815 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -23.1069 8.05381 6.93815 0.02805 protocols.relax.FastRelax: CMD: min -34.459 8.11368 6.81086 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.459 8.11368 6.81086 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4211 8.11368 6.81086 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.5337 8.11368 6.81086 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.0765 8.11368 6.81086 0.154 protocols.relax.FastRelax: CMD: min -24.1068 8.04683 6.76067 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.1068 8.04683 6.76067 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -15.698 8.04683 6.76067 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.7231 8.04683 6.76067 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -15.0623 8.04683 6.76067 0.31955 protocols.relax.FastRelax: CMD: min -17.6868 8.04876 6.79126 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.6868 8.04876 6.79126 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.30958 8.04876 6.79126 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.3098 8.04876 6.79126 0.55 protocols.relax.FastRelax: CMD: min -18.6273 7.78395 6.8349 0.55 protocols.relax.FastRelax: MRP: 1 -18.6273 -18.6273 7.78395 6.8349 protocols.relax.FastRelax: CMD: accept_to_best -18.6273 7.78395 6.8349 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.6273 7.78395 6.8349 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6273 7.78395 6.8349 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.3058 7.78395 6.8349 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.6587 7.78395 6.8349 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5016 7.78395 6.8349 0.02805 protocols.relax.FastRelax: CMD: min -39.1841 7.91954 6.98397 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.1841 7.91954 6.98397 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0436 7.91954 6.98397 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 383 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.2921 7.91954 6.98397 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.0374 7.91954 6.98397 0.154 protocols.relax.FastRelax: CMD: min -30.5161 7.81556 6.88918 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.5161 7.81556 6.88918 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4289 7.81556 6.88918 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 383 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.457 7.81556 6.88918 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.897 7.81556 6.88918 0.31955 protocols.relax.FastRelax: CMD: min -24.473 7.8078 6.85299 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.473 7.8078 6.85299 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.6686 7.8078 6.85299 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 379 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.6686 7.8078 6.85299 0.55 protocols.relax.FastRelax: CMD: min -18.6988 7.78647 6.88977 0.55 protocols.relax.FastRelax: MRP: 2 -18.6988 -18.6988 7.78647 6.88977 protocols.relax.FastRelax: CMD: accept_to_best -18.6988 7.78647 6.88977 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.6988 7.78647 6.88977 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6988 7.78647 6.88977 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4744 7.78647 6.88977 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.8223 7.78647 6.88977 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6646 7.78647 6.88977 0.02805 protocols.relax.FastRelax: CMD: min -37.2441 7.8994 6.91793 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.2441 7.8994 6.91793 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.9554 7.8994 6.91793 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 384 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.5872 7.8994 6.91793 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0448 7.8994 6.91793 0.154 protocols.relax.FastRelax: CMD: min -29.6899 7.8472 6.96081 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6899 7.8472 6.96081 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.2768 7.8472 6.96081 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 386 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.279 7.8472 6.96081 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7735 7.8472 6.96081 0.31955 protocols.relax.FastRelax: CMD: min -23.291 7.83237 6.94498 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.291 7.83237 6.94498 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.6251 7.83237 6.94498 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 385 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.627 7.83237 6.94498 0.55 protocols.relax.FastRelax: CMD: min -18.6974 7.78586 6.88882 0.55 protocols.relax.FastRelax: MRP: 3 -18.6974 -18.6988 7.78647 6.88977 protocols.relax.FastRelax: CMD: accept_to_best -18.6974 7.78586 6.88882 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.6974 7.78586 6.88882 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6974 7.78586 6.88882 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4344 7.78586 6.88882 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.7854 7.78586 6.88882 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6281 7.78586 6.88882 0.02805 protocols.relax.FastRelax: CMD: min -37.1684 7.89843 6.91719 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.1684 7.89843 6.91719 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.5648 7.89843 6.91719 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 384 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.2408 7.89843 6.91719 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.679 7.89843 6.91719 0.154 protocols.relax.FastRelax: CMD: min -29.8512 7.83222 6.91313 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.8512 7.83222 6.91313 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.0291 7.83222 6.91313 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 382 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.0294 7.83222 6.91313 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.4918 7.83222 6.91313 0.31955 protocols.relax.FastRelax: CMD: min -23.1548 7.81741 6.88179 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.1548 7.81741 6.88179 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0707 7.81741 6.88179 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 379 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.0707 7.81741 6.88179 0.55 protocols.relax.FastRelax: CMD: min -19.2919 7.76361 6.90948 0.55 protocols.relax.FastRelax: MRP: 4 -19.2919 -19.2919 7.76361 6.90948 protocols.relax.FastRelax: CMD: accept_to_best -19.2919 7.76361 6.90948 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.2919 7.76361 6.90948 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_20.pdb protocols.relax.FastRelax: CMD: repeat 16299.6 11.1992 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16299.6 11.1992 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2166.9 11.1992 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 39.7769 11.1992 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 45.51 11.1992 0 0.02805 protocols.relax.FastRelax: CMD: min -32.9098 8.09456 6.79348 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.9098 8.09456 6.79348 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7084 8.09456 6.79348 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.094 8.09456 6.79348 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.8418 8.09456 6.79348 0.154 protocols.relax.FastRelax: CMD: min -26.5676 8.07202 7.12143 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.5676 8.07202 7.12143 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.0401 8.07202 7.12143 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.0752 8.07202 7.12143 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4847 8.07202 7.12143 0.31955 protocols.relax.FastRelax: CMD: min -18.5096 8.07416 7.11744 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5096 8.07416 7.11744 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -7.29732 8.07416 7.11744 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.30107 8.07416 7.11744 0.55 protocols.relax.FastRelax: CMD: min -19.9555 8.05339 7.15949 0.55 protocols.relax.FastRelax: MRP: 0 -19.9555 -19.9555 8.05339 7.15949 protocols.relax.FastRelax: CMD: accept_to_best -19.9555 8.05339 7.15949 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.9555 8.05339 7.15949 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.9555 8.05339 7.15949 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6526 8.05339 7.15949 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.984 8.05339 7.15949 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.814 8.05339 7.15949 0.02805 protocols.relax.FastRelax: CMD: min -33.8849 8.05265 7.17014 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8849 8.05265 7.17014 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5609 8.05265 7.17014 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.5609 8.05265 7.17014 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.328 8.05265 7.17014 0.154 protocols.relax.FastRelax: CMD: min -30.3658 8.05141 7.17844 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.3658 8.05141 7.17844 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.0169 8.05141 7.17844 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.104 8.05141 7.17844 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.7728 8.05141 7.17844 0.31955 protocols.relax.FastRelax: CMD: min -25.778 8.04983 7.18027 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.778 8.04983 7.18027 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4696 8.04983 7.18027 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.4696 8.04983 7.18027 0.55 protocols.relax.FastRelax: CMD: min -19.9554 8.05279 7.1666 0.55 protocols.relax.FastRelax: MRP: 1 -19.9554 -19.9555 8.05339 7.15949 protocols.relax.FastRelax: CMD: accept_to_best -19.9554 8.05279 7.1666 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.9554 8.05279 7.1666 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.9554 8.05279 7.1666 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.657 8.05279 7.1666 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.9853 8.05279 7.1666 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8124 8.05279 7.1666 0.02805 protocols.relax.FastRelax: CMD: min -33.8831 8.05215 7.17691 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8831 8.05215 7.17691 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5035 8.05215 7.17691 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.5035 8.05215 7.17691 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2666 8.05215 7.17691 0.154 protocols.relax.FastRelax: CMD: min -30.3047 8.05101 7.18499 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.3047 8.05101 7.18499 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.8832 8.05101 7.18499 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.9745 8.05101 7.18499 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.6377 8.05101 7.18499 0.31955 protocols.relax.FastRelax: CMD: min -25.6426 8.04955 7.18673 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.6426 8.04955 7.18673 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.2274 8.04955 7.18673 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.2274 8.04955 7.18673 0.55 protocols.relax.FastRelax: CMD: min -19.9548 8.05026 7.17167 0.55 protocols.relax.FastRelax: MRP: 2 -19.9548 -19.9555 8.05339 7.15949 protocols.relax.FastRelax: CMD: accept_to_best -19.9548 8.05026 7.17167 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.9548 8.05026 7.17167 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.9548 8.05026 7.17167 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6495 8.05026 7.17167 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.9922 8.05026 7.17167 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8192 8.05026 7.17167 0.02805 protocols.relax.FastRelax: CMD: min -33.8904 8.04971 7.18193 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8904 8.04971 7.18193 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5101 8.04971 7.18193 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.5101 8.04971 7.18193 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2732 8.04971 7.18193 0.154 protocols.relax.FastRelax: CMD: min -30.3116 8.04866 7.18996 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.3116 8.04866 7.18996 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.8893 8.04866 7.18996 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.9732 8.04866 7.18996 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.6363 8.04866 7.18996 0.31955 protocols.relax.FastRelax: CMD: min -25.641 8.04731 7.19166 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.641 8.04731 7.19166 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.2224 8.04731 7.19166 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.2225 8.04731 7.19166 0.55 protocols.relax.FastRelax: CMD: min -19.9577 8.05271 7.16999 0.55 protocols.relax.FastRelax: MRP: 3 -19.9577 -19.9577 8.05271 7.16999 protocols.relax.FastRelax: CMD: accept_to_best -19.9577 8.05271 7.16999 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.9577 8.05271 7.16999 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.9577 8.05271 7.16999 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6407 8.05271 7.16999 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.983 8.05271 7.16999 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8131 8.05271 7.16999 0.02805 protocols.relax.FastRelax: CMD: min -33.8843 8.05203 7.1806 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8843 8.05203 7.1806 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5624 8.05203 7.1806 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.5624 8.05203 7.1806 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.3295 8.05203 7.1806 0.154 protocols.relax.FastRelax: CMD: min -30.3677 8.05084 7.18887 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.3677 8.05084 7.18887 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.0214 8.05084 7.18887 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.1102 8.05084 7.18887 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.7795 8.05084 7.18887 0.31955 protocols.relax.FastRelax: CMD: min -25.7844 8.04935 7.19066 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.7844 8.04935 7.19066 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4849 8.04935 7.19066 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.4849 8.04935 7.19066 0.55 protocols.relax.FastRelax: CMD: min -19.9572 8.05364 7.16734 0.55 protocols.relax.FastRelax: MRP: 4 -19.9572 -19.9577 8.05271 7.16999 protocols.relax.FastRelax: CMD: accept_to_best -19.9572 8.05364 7.16734 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.9572 8.05364 7.16734 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_41.pdb protocols.relax.FastRelax: CMD: repeat 11473.4 9.38372 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11473.4 9.38372 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1839.67 9.38372 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 391 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 34.0396 9.38372 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 36.0357 9.38372 0 0.02805 protocols.relax.FastRelax: CMD: min 35.9823 9.38372 0.00290439 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 35.9823 9.38372 0.00290439 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 74.7464 9.38372 0.00290439 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 375 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 68.3833 9.38372 0.00290439 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 70.4499 9.38372 0.00290439 0.154 protocols.relax.FastRelax: CMD: min -21.5853 10.0733 2.53312 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -21.5853 10.0733 2.53312 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7505 10.0733 2.53312 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.0044 10.0733 2.53312 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4881 10.0733 2.53312 0.31955 protocols.relax.FastRelax: CMD: min -19.5527 10.0712 2.52972 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -19.5527 10.0712 2.52972 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.7844 10.0712 2.52972 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.78444 10.0712 2.52972 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.90735e-06 Deriv= -0.0144423 Finite Diff= 0.00673088 protocols.relax.FastRelax: CMD: min -21.7481 10.2661 2.47221 0.55 protocols.relax.FastRelax: MRP: 0 -21.7481 -21.7481 10.2661 2.47221 protocols.relax.FastRelax: CMD: accept_to_best -21.7481 10.2661 2.47221 0.55 protocols.relax.FastRelax: CMD: endrepeat -21.7481 10.2661 2.47221 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -21.7481 10.2661 2.47221 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.7225 10.2661 2.47221 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.836 10.2661 2.47221 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5621 10.2661 2.47221 0.02805 protocols.relax.FastRelax: CMD: min -41.1068 10.5509 2.57714 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1068 10.5509 2.57714 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.281 10.5509 2.57714 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.946 10.5509 2.57714 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.9811 10.5509 2.57714 0.154 protocols.relax.FastRelax: CMD: min -41.9732 10.8434 3.20821 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9732 10.8434 3.20821 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0847 10.8434 3.20821 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.3305 10.8434 3.20821 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.6545 10.8434 3.20821 0.31955 protocols.relax.FastRelax: CMD: min -35.3548 10.7469 3.07615 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.3548 10.7469 3.07615 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.1806 10.7469 3.07615 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.2114 10.7469 3.07615 0.55 protocols.relax.FastRelax: CMD: min -32.1993 11.2207 4.53757 0.55 protocols.relax.FastRelax: MRP: 1 -32.1993 -32.1993 11.2207 4.53757 protocols.relax.FastRelax: CMD: accept_to_best -32.1993 11.2207 4.53757 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.1993 11.2207 4.53757 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.1993 11.2207 4.53757 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.539 11.2207 4.53757 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.021 11.2207 4.53757 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.0214 11.2207 4.53757 0.02805 protocols.relax.FastRelax: CMD: min -50.7255 11.3187 4.80846 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -50.7255 11.3187 4.80846 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.7426 11.3187 4.80846 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.5271 11.3187 4.80846 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.0654 11.3187 4.80846 0.154 protocols.relax.FastRelax: CMD: min -41.1686 11.8472 6.05492 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1686 11.8472 6.05492 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.3761 11.8472 6.05492 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.192 11.8472 6.05492 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5659 11.8472 6.05492 0.31955 protocols.relax.FastRelax: CMD: min -33.6292 11.8473 6.05521 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.6292 11.8473 6.05521 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9131 11.8473 6.05521 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.0409 11.8473 6.05521 0.55 protocols.relax.FastRelax: CMD: min -34.9963 11.981 6.21952 0.55 protocols.relax.FastRelax: MRP: 2 -34.9963 -34.9963 11.981 6.21952 protocols.relax.FastRelax: CMD: accept_to_best -34.9963 11.981 6.21952 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.9963 11.981 6.21952 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -34.9963 11.981 6.21952 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7064 11.981 6.21952 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8339 11.981 6.21952 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2172 11.981 6.21952 0.02805 protocols.relax.FastRelax: CMD: min -60.0422 12.1333 6.54341 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -60.0422 12.1333 6.54341 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3198 12.1333 6.54341 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.2283 12.1333 6.54341 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8418 12.1333 6.54341 0.154 protocols.relax.FastRelax: CMD: min -48.0284 12.0727 6.40637 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -48.0284 12.0727 6.40637 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.316 12.0727 6.40637 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.3571 12.0727 6.40637 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.7495 12.0727 6.40637 0.31955 protocols.relax.FastRelax: CMD: min -40.1156 12.0585 6.39202 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.1156 12.0585 6.39202 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.2524 12.0585 6.39202 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.2561 12.0585 6.39202 0.55 protocols.relax.FastRelax: CMD: min -34.9894 11.9794 6.21491 0.55 protocols.relax.FastRelax: MRP: 3 -34.9894 -34.9963 11.981 6.21952 protocols.relax.FastRelax: CMD: accept_to_best -34.9894 11.9794 6.21491 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.9894 11.9794 6.21491 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -34.9894 11.9794 6.21491 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -48.692 11.9794 6.21491 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.8397 11.9794 6.21491 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2158 11.9794 6.21491 0.02805 protocols.relax.FastRelax: CMD: min -58.5975 12.1341 6.5645 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.5975 12.1341 6.5645 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2151 12.1341 6.5645 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.7784 12.1341 6.5645 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9654 12.1341 6.5645 0.154 protocols.relax.FastRelax: CMD: min -48.1264 12.0692 6.40509 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -48.1264 12.0692 6.40509 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0489 12.0692 6.40509 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.0857 12.0692 6.40509 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.4497 12.0692 6.40509 0.31955 protocols.relax.FastRelax: CMD: min -41.229 12.0373 6.30975 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.229 12.0373 6.30975 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.9939 12.0373 6.30975 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.0182 12.0373 6.30975 0.55 protocols.relax.FastRelax: CMD: min -34.9906 11.9695 6.20176 0.55 protocols.relax.FastRelax: MRP: 4 -34.9906 -34.9963 11.981 6.21952 protocols.relax.FastRelax: CMD: accept_to_best -34.9906 11.9695 6.20176 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.9906 11.9695 6.20176 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_9.pdb protocols.relax.FastRelax: CMD: repeat 12089.7 10.2576 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12089.7 10.2576 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1853.9 10.2576 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 51.7032 10.2576 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 56.0334 10.2576 0 0.02805 protocols.relax.FastRelax: CMD: min -12.9715 9.97623 1.3414 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -12.9715 9.97623 1.3414 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 6.0122 9.97623 1.3414 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2.85751 9.97623 1.3414 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 3.65175 9.97623 1.3414 0.154 protocols.relax.FastRelax: CMD: min -10.1541 10.0607 1.72006 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -10.1541 10.0607 1.72006 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -3.68182 10.0607 1.72006 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.70037 10.0607 1.72006 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -3.19486 10.0607 1.72006 0.31955 protocols.relax.FastRelax: CMD: min -4.93124 10.0568 1.72827 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -4.93124 10.0568 1.72827 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 2.11759 10.0568 1.72827 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2.11753 10.0568 1.72827 0.55 protocols.relax.FastRelax: CMD: min -2.32087 10.1198 2.06618 0.55 protocols.relax.FastRelax: MRP: 0 -2.32087 -2.32087 10.1198 2.06618 protocols.relax.FastRelax: CMD: accept_to_best -2.32087 10.1198 2.06618 0.55 protocols.relax.FastRelax: CMD: endrepeat -2.32087 10.1198 2.06618 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -2.32087 10.1198 2.06618 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -15.0203 10.1198 2.06618 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.3326 10.1198 2.06618 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.8997 10.1198 2.06618 0.02805 protocols.relax.FastRelax: CMD: min -19.1976 10.1302 2.0545 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1976 10.1302 2.0545 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -9.85751 10.1302 2.0545 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.6523 10.1302 2.0545 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.2293 10.1302 2.0545 0.154 protocols.relax.FastRelax: CMD: min -19.0133 10.1634 2.16254 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -19.0133 10.1634 2.16254 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -12.4195 10.1634 2.16254 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.509 10.1634 2.16254 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -12.0024 10.1634 2.16254 0.31955 protocols.relax.FastRelax: CMD: min -12.1639 10.1562 2.16964 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -12.1639 10.1562 2.16964 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -2.83624 10.1562 2.16964 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.83849 10.1562 2.16964 0.55 protocols.relax.FastRelax: CMD: min -7.44869 10.0111 2.25436 0.55 protocols.relax.FastRelax: MRP: 1 -7.44869 -7.44869 10.0111 2.25436 protocols.relax.FastRelax: CMD: accept_to_best -7.44869 10.0111 2.25436 0.55 protocols.relax.FastRelax: CMD: endrepeat -7.44869 10.0111 2.25436 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -7.44869 10.0111 2.25436 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5907 10.0111 2.25436 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.5691 10.0111 2.25436 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -22.2526 10.0111 2.25436 0.02805 protocols.relax.FastRelax: CMD: min -22.8171 10.0386 2.22371 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8171 10.0386 2.22371 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.4339 10.0386 2.22371 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5998 10.0386 2.22371 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.351 10.0386 2.22371 0.154 protocols.relax.FastRelax: CMD: min -18.4417 10.0306 2.22425 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.4417 10.0306 2.22425 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8451 10.0306 2.22425 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8452 10.0306 2.22425 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4828 10.0306 2.22425 0.31955 protocols.relax.FastRelax: CMD: min -13.6044 10.0241 2.22916 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.6044 10.0241 2.22916 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.83478 10.0241 2.22916 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.83478 10.0241 2.22916 0.55 protocols.relax.FastRelax: CMD: min -7.47458 10.0074 2.28007 0.55 protocols.relax.FastRelax: MRP: 2 -7.47458 -7.47458 10.0074 2.28007 protocols.relax.FastRelax: CMD: accept_to_best -7.47458 10.0074 2.28007 0.55 protocols.relax.FastRelax: CMD: endrepeat -7.47458 10.0074 2.28007 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -7.47458 10.0074 2.28007 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6242 10.0074 2.28007 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.6106 10.0074 2.28007 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -22.2992 10.0074 2.28007 0.02805 protocols.relax.FastRelax: CMD: min -22.8728 10.0347 2.24872 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8728 10.0347 2.24872 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.5753 10.0347 2.24872 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.6336 10.0347 2.24872 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3844 10.0347 2.24872 0.154 protocols.relax.FastRelax: CMD: min -18.4749 10.0267 2.24932 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.4749 10.0267 2.24932 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8766 10.0267 2.24932 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8768 10.0267 2.24932 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.5142 10.0267 2.24932 0.31955 protocols.relax.FastRelax: CMD: min -13.638 10.0199 2.25421 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.638 10.0199 2.25421 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.86831 10.0199 2.25421 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.86831 10.0199 2.25421 0.55 protocols.relax.FastRelax: CMD: min -7.47465 10.0067 2.28294 0.55 protocols.relax.FastRelax: MRP: 3 -7.47465 -7.47465 10.0067 2.28294 protocols.relax.FastRelax: CMD: accept_to_best -7.47465 10.0067 2.28294 0.55 protocols.relax.FastRelax: CMD: endrepeat -7.47465 10.0067 2.28294 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -7.47465 10.0067 2.28294 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6383 10.0067 2.28294 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.6274 10.0067 2.28294 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3168 10.0067 2.28294 0.02805 protocols.relax.FastRelax: CMD: min -22.8918 10.0341 2.2514 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8918 10.0341 2.2514 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.6066 10.0341 2.2514 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.6451 10.0341 2.2514 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3956 10.0341 2.2514 0.154 protocols.relax.FastRelax: CMD: min -18.4863 10.0261 2.25206 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.4863 10.0261 2.25206 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8821 10.0261 2.25206 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8823 10.0261 2.25206 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.5193 10.0261 2.25206 0.31955 protocols.relax.FastRelax: CMD: min -13.644 10.0193 2.25702 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.644 10.0193 2.25702 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.86655 10.0193 2.25702 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.86655 10.0193 2.25702 0.55 protocols.relax.FastRelax: CMD: min -7.47479 10.0069 2.28547 0.55 protocols.relax.FastRelax: MRP: 4 -7.47479 -7.47479 10.0069 2.28547 protocols.relax.FastRelax: CMD: accept_to_best -7.47479 10.0069 2.28547 0.55 protocols.relax.FastRelax: CMD: endrepeat -7.47479 10.0069 2.28547 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_13.pdb protocols.relax.FastRelax: CMD: repeat 10910.8 8.27586 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10910.8 8.27586 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1957.64 8.27586 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 59.9433 8.27586 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 61.2955 8.27586 0 0.02805 protocols.relax.FastRelax: CMD: min 61.2595 8.2764 0.00432962 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 61.2595 8.2764 0.00432962 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 87.5395 8.2764 0.00432962 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 80.1149 8.2764 0.00432962 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 81.3056 8.2764 0.00432962 0.154 protocols.relax.FastRelax: CMD: min 81.2387 8.27593 0.00411574 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 81.2387 8.27593 0.00411574 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 103.347 8.27593 0.00411574 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 400 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 102.39 8.27593 0.00411574 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 103.951 8.27593 0.00411574 0.31955 protocols.relax.FastRelax: CMD: min 4906.24 9.24585 5.94758 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight 4906.24 9.24585 5.94758 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 8460.64 9.24585 5.94758 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 398 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8008.6 9.24585 5.94758 0.55 protocols.relax.FastRelax: CMD: min -8.25482 7.76764 9.33597 0.55 protocols.relax.FastRelax: MRP: 0 -8.25482 -8.25482 7.76764 9.33597 protocols.relax.FastRelax: CMD: accept_to_best -8.25482 7.76764 9.33597 0.55 protocols.relax.FastRelax: CMD: endrepeat -8.25482 7.76764 9.33597 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -8.25482 7.76764 9.33597 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5454 7.76764 9.33597 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.9956 7.76764 9.33597 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7784 7.76764 9.33597 0.02805 protocols.relax.FastRelax: CMD: min -24.6072 7.8076 9.22441 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -24.6072 7.8076 9.22441 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0611 7.8076 9.22441 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.7024 7.8076 9.22441 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0015 7.8076 9.22441 0.154 protocols.relax.FastRelax: CMD: min -23.8539 7.69688 9.28515 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -23.8539 7.69688 9.28515 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -18.8358 7.69688 9.28515 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.9037 7.69688 9.28515 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.513 7.69688 9.28515 0.31955 protocols.relax.FastRelax: CMD: min -18.6519 7.69272 9.30325 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6519 7.69272 9.30325 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.5043 7.69272 9.30325 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.5684 7.69272 9.30325 0.55 protocols.relax.FastRelax: CMD: min -17.5607 8.16096 8.54792 0.55 protocols.relax.FastRelax: MRP: 1 -17.5607 -17.5607 8.16096 8.54792 protocols.relax.FastRelax: CMD: accept_to_best -17.5607 8.16096 8.54792 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.5607 8.16096 8.54792 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.5607 8.16096 8.54792 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -29.7632 8.16096 8.54792 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.0508 8.16096 8.54792 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8174 8.16096 8.54792 0.02805 protocols.relax.FastRelax: CMD: min -36.3778 8.22342 8.30709 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.3778 8.22342 8.30709 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.0758 8.22342 8.30709 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.9992 8.22342 8.30709 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1267 8.22342 8.30709 0.154 protocols.relax.FastRelax: CMD: min -31.6369 8.16011 8.07883 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.6369 8.16011 8.07883 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.6154 8.16011 8.07883 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.6635 8.16011 8.07883 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.1883 8.16011 8.07883 0.31955 protocols.relax.FastRelax: CMD: min -26.2857 8.13287 8.15931 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.2857 8.13287 8.15931 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4038 8.13287 8.15931 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.4038 8.13287 8.15931 0.55 protocols.relax.FastRelax: CMD: min -26.7139 8.39233 7.75846 0.55 protocols.relax.FastRelax: MRP: 2 -26.7139 -26.7139 8.39233 7.75846 protocols.relax.FastRelax: CMD: accept_to_best -26.7139 8.39233 7.75846 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.7139 8.39233 7.75846 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.7139 8.39233 7.75846 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0138 8.39233 7.75846 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.7212 8.39233 7.75846 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -40.5134 8.39233 7.75846 0.02805 protocols.relax.FastRelax: CMD: min -45.2059 8.42563 7.58519 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2059 8.42563 7.58519 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.242 8.42563 7.58519 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.5941 8.42563 7.58519 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.7963 8.42563 7.58519 0.154 protocols.relax.FastRelax: CMD: min -38.3395 8.39239 7.69823 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.3395 8.39239 7.69823 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -32.1415 8.39239 7.69823 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.1433 8.39239 7.69823 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6548 8.39239 7.69823 0.31955 protocols.relax.FastRelax: CMD: min -31.8816 8.37925 7.73127 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.8816 8.37925 7.73127 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.2247 8.37925 7.73127 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.2257 8.37925 7.73127 0.55 protocols.relax.FastRelax: CMD: min -26.7174 8.40051 7.74791 0.55 protocols.relax.FastRelax: MRP: 3 -26.7174 -26.7174 8.40051 7.74791 protocols.relax.FastRelax: CMD: accept_to_best -26.7174 8.40051 7.74791 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.7174 8.40051 7.74791 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.7174 8.40051 7.74791 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -40.001 8.40051 7.74791 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.7159 8.40051 7.74791 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -40.5073 8.40051 7.74791 0.02805 protocols.relax.FastRelax: CMD: min -45.7811 8.43341 7.55832 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -45.7811 8.43341 7.55832 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8596 8.43341 7.55832 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.6446 8.43341 7.55832 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9552 8.43341 7.55832 0.154 protocols.relax.FastRelax: CMD: min -37.1932 8.39341 7.68454 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -37.1932 8.39341 7.68454 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.784 8.39341 7.68454 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.7842 8.39341 7.68454 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.1211 8.39341 7.68454 0.31955 protocols.relax.FastRelax: CMD: min -32.6529 8.39442 7.70827 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -32.6529 8.39442 7.70827 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0462 8.39442 7.70827 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.0465 8.39442 7.70827 0.55 protocols.relax.FastRelax: CMD: min -26.7183 8.40104 7.74493 0.55 protocols.relax.FastRelax: MRP: 4 -26.7183 -26.7183 8.40104 7.74493 protocols.relax.FastRelax: CMD: accept_to_best -26.7183 8.40104 7.74493 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.7183 8.40104 7.74493 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_10.pdb protocols.relax.FastRelax: CMD: repeat 11701.2 10.2855 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11701.2 10.2855 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1913.38 10.2855 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 45.1347 10.2855 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 47.9862 10.2855 0 0.02805 protocols.relax.FastRelax: CMD: min -25.0771 13.9026 5.17329 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.0771 13.9026 5.17329 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -5.88698 13.9026 5.17329 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.21656 13.9026 5.17329 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -5.85551 13.9026 5.17329 0.154 protocols.relax.FastRelax: CMD: min -25.9579 13.59 4.50596 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -25.9579 13.59 4.50596 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.986 13.59 4.50596 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.4059 13.59 4.50596 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.7817 13.59 4.50596 0.31955 protocols.relax.FastRelax: CMD: min -17.8648 13.5897 4.5026 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.8648 13.5897 4.5026 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.12066 13.5897 4.5026 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.12541 13.5897 4.5026 0.55 protocols.relax.FastRelax: CMD: min -20.2457 14.8805 6.74117 0.55 protocols.relax.FastRelax: MRP: 0 -20.2457 -20.2457 14.8805 6.74117 protocols.relax.FastRelax: CMD: accept_to_best -20.2457 14.8805 6.74117 0.55 protocols.relax.FastRelax: CMD: endrepeat -20.2457 14.8805 6.74117 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -20.2457 14.8805 6.74117 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0137 14.8805 6.74117 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.6623 14.8805 6.74117 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -36.4647 14.8805 6.74117 0.02805 protocols.relax.FastRelax: CMD: min -36.6034 14.8856 6.74322 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.6034 14.8856 6.74322 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.719 14.8856 6.74322 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.7978 14.8856 6.74322 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.5445 14.8856 6.74322 0.154 protocols.relax.FastRelax: CMD: min -32.6082 14.8893 6.74467 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -32.6082 14.8893 6.74467 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -27.86 14.8893 6.74467 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.86 14.8893 6.74467 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.4856 14.8893 6.74467 0.31955 protocols.relax.FastRelax: CMD: min -27.4967 14.8908 6.74513 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.4967 14.8908 6.74513 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.3523 14.8908 6.74513 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.3523 14.8908 6.74513 0.55 protocols.relax.FastRelax: CMD: min -23.2996 14.9351 6.58981 0.55 protocols.relax.FastRelax: MRP: 1 -23.2996 -23.2996 14.9351 6.58981 protocols.relax.FastRelax: CMD: accept_to_best -23.2996 14.9351 6.58981 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.2996 14.9351 6.58981 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -23.2996 14.9351 6.58981 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8474 14.9351 6.58981 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.4769 14.9351 6.58981 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2819 14.9351 6.58981 0.02805 protocols.relax.FastRelax: CMD: min -39.4274 14.9388 6.59168 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.4274 14.9388 6.59168 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.5894 14.9388 6.59168 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.6697 14.9388 6.59168 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.4196 14.9388 6.59168 0.154 protocols.relax.FastRelax: CMD: min -35.4834 14.9415 6.59312 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.4834 14.9415 6.59312 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.7918 14.9415 6.59312 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.7918 14.9415 6.59312 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.4219 14.9415 6.59312 0.31955 protocols.relax.FastRelax: CMD: min -30.4306 14.9425 6.59382 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.4306 14.9425 6.59382 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.3717 14.9425 6.59382 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.3717 14.9425 6.59382 0.55 protocols.relax.FastRelax: CMD: min -24.7812 15.1476 6.87977 0.55 protocols.relax.FastRelax: MRP: 2 -24.7812 -24.7812 15.1476 6.87977 protocols.relax.FastRelax: CMD: accept_to_best -24.7812 15.1476 6.87977 0.55 protocols.relax.FastRelax: CMD: endrepeat -24.7812 15.1476 6.87977 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -24.7812 15.1476 6.87977 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1081 15.1476 6.87977 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.749 15.1476 6.87977 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.5582 15.1476 6.87977 0.02805 protocols.relax.FastRelax: CMD: min -39.7025 15.1517 6.88155 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.7025 15.1517 6.88155 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9467 15.1517 6.88155 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.0286 15.1517 6.88155 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7843 15.1517 6.88155 0.154 protocols.relax.FastRelax: CMD: min -35.8475 15.1545 6.88289 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.8475 15.1545 6.88289 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.2636 15.1545 6.88289 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.2636 15.1545 6.88289 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.9022 15.1545 6.88289 0.31955 protocols.relax.FastRelax: CMD: min -30.9108 15.1555 6.88351 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.9108 15.1555 6.88351 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0138 15.1555 6.88351 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.0138 15.1555 6.88351 0.55 protocols.relax.FastRelax: CMD: min -24.781 15.1711 6.925 0.55 protocols.relax.FastRelax: MRP: 3 -24.781 -24.7812 15.1476 6.87977 protocols.relax.FastRelax: CMD: accept_to_best -24.781 15.1711 6.925 0.55 protocols.relax.FastRelax: CMD: endrepeat -24.781 15.1711 6.925 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -24.781 15.1711 6.925 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1181 15.1711 6.925 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.773 15.1711 6.925 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.582 15.1711 6.925 0.02805 protocols.relax.FastRelax: CMD: min -39.726 15.1753 6.92673 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.726 15.1753 6.92673 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9667 15.1753 6.92673 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.0456 15.1753 6.92673 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.801 15.1753 6.92673 0.154 protocols.relax.FastRelax: CMD: min -35.8641 15.1782 6.92804 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.8641 15.1782 6.92804 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.2752 15.1782 6.92804 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.2752 15.1782 6.92804 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.9133 15.1782 6.92804 0.31955 protocols.relax.FastRelax: CMD: min -30.9218 15.1791 6.92864 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.9218 15.1791 6.92864 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0172 15.1791 6.92864 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.0172 15.1791 6.92864 0.55 protocols.relax.FastRelax: CMD: min -24.7807 15.1727 6.93661 0.55 protocols.relax.FastRelax: MRP: 4 -24.7807 -24.7812 15.1476 6.87977 protocols.relax.FastRelax: CMD: accept_to_best -24.7807 15.1727 6.93661 0.55 protocols.relax.FastRelax: CMD: endrepeat -24.7807 15.1727 6.93661 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_17.pdb protocols.relax.FastRelax: CMD: repeat 11388.7 8.17276 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11388.7 8.17276 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1979.44 8.17276 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 401 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 54.8138 8.17276 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 61.4539 8.17276 0 0.02805 protocols.relax.FastRelax: CMD: min -32.5707 7.23554 2.79579 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.5707 7.23554 2.79579 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.71879 7.23554 2.79579 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.61506 7.23554 2.79579 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -5.09007 7.23554 2.79579 0.154 protocols.relax.FastRelax: CMD: min -19.9293 7.3547 2.61251 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -19.9293 7.3547 2.61251 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -11.1445 7.3547 2.61251 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.1721 7.3547 2.61251 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.4818 7.3547 2.61251 0.31955 protocols.relax.FastRelax: CMD: min -12.2772 7.42415 2.57327 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -12.2772 7.42415 2.57327 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -2.78585 7.42415 2.57327 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.7859 7.42415 2.57327 0.55 protocols.relax.FastRelax: CMD: min -8.63927 8.28495 2.67162 0.55 protocols.relax.FastRelax: MRP: 0 -8.63927 -8.63927 8.28495 2.67162 protocols.relax.FastRelax: CMD: accept_to_best -8.63927 8.28495 2.67162 0.55 protocols.relax.FastRelax: CMD: endrepeat -8.63927 8.28495 2.67162 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -8.63927 8.28495 2.67162 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -23.3486 8.28495 2.67162 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5546 8.28495 2.67162 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -26.8607 8.28495 2.67162 0.02805 protocols.relax.FastRelax: CMD: min -26.9315 8.28524 2.66925 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -26.9315 8.28524 2.66925 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.6456 8.28524 2.66925 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.9895 8.28524 2.66925 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7013 8.28524 2.66925 0.154 protocols.relax.FastRelax: CMD: min -21.7282 8.28407 2.66821 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -21.7282 8.28407 2.66821 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -16.3647 8.28407 2.66821 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.3647 8.28407 2.66821 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -15.9418 8.28407 2.66821 0.31955 protocols.relax.FastRelax: CMD: min -15.9737 8.28224 2.66744 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -15.9737 8.28224 2.66744 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -7.93305 8.28224 2.66744 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.93305 8.28224 2.66744 0.55 protocols.relax.FastRelax: CMD: min -12.9572 8.142 2.89264 0.55 protocols.relax.FastRelax: MRP: 1 -12.9572 -12.9572 8.142 2.89264 protocols.relax.FastRelax: CMD: accept_to_best -12.9572 8.142 2.89264 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.9572 8.142 2.89264 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.9572 8.142 2.89264 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -27.396 8.142 2.89264 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8044 8.142 2.89264 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5504 8.142 2.89264 0.02805 protocols.relax.FastRelax: CMD: min -28.5931 8.14219 2.89196 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5931 8.14219 2.89196 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.66 8.14219 2.89196 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.6601 8.14219 2.89196 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.3143 8.14219 2.89196 0.154 protocols.relax.FastRelax: CMD: min -27.601 8.16084 2.74243 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.601 8.16084 2.74243 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -18.984 8.16084 2.74243 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.1823 8.16084 2.74243 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5064 8.16084 2.74243 0.31955 protocols.relax.FastRelax: CMD: min -22.233 8.33365 2.87097 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.233 8.33365 2.87097 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.6439 8.33365 2.87097 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.6481 8.33365 2.87097 0.55 protocols.relax.FastRelax: CMD: min -17.0276 8.26658 3.3461 0.55 protocols.relax.FastRelax: MRP: 2 -17.0276 -17.0276 8.26658 3.3461 protocols.relax.FastRelax: CMD: accept_to_best -17.0276 8.26658 3.3461 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0276 8.26658 3.3461 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.0276 8.26658 3.3461 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5688 8.26658 3.3461 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.0523 8.26658 3.3461 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8632 8.26658 3.3461 0.02805 protocols.relax.FastRelax: CMD: min -31.9146 8.26647 3.34561 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.9146 8.26647 3.34561 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2255 8.26647 3.34561 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.2255 8.26647 3.34561 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9669 8.26647 3.34561 0.154 protocols.relax.FastRelax: CMD: min -27.9972 8.26643 3.34514 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.9972 8.26643 3.34514 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.177 8.26643 3.34514 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.177 8.26643 3.34514 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7969 8.26643 3.34514 0.31955 protocols.relax.FastRelax: CMD: min -22.809 8.26646 3.34471 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.809 8.26646 3.34471 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.5617 8.26646 3.34471 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.5617 8.26646 3.34471 0.55 protocols.relax.FastRelax: CMD: min -17.0269 8.27935 3.34652 0.55 protocols.relax.FastRelax: MRP: 3 -17.0269 -17.0276 8.26658 3.3461 protocols.relax.FastRelax: CMD: accept_to_best -17.0269 8.27935 3.34652 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0269 8.27935 3.34652 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.0269 8.27935 3.34652 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.57 8.27935 3.34652 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.0686 8.27935 3.34652 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.8791 8.27935 3.34652 0.02805 protocols.relax.FastRelax: CMD: min -31.9303 8.27924 3.34602 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.9303 8.27924 3.34602 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2325 8.27924 3.34602 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.2325 8.27924 3.34602 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9733 8.27924 3.34602 0.154 protocols.relax.FastRelax: CMD: min -28.0036 8.2792 3.34555 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.0036 8.2792 3.34555 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.172 8.2792 3.34555 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.172 8.2792 3.34555 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7911 8.2792 3.34555 0.31955 protocols.relax.FastRelax: CMD: min -22.8031 8.27923 3.34513 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.8031 8.27923 3.34513 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.5388 8.27923 3.34513 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.5388 8.27923 3.34513 0.55 protocols.relax.FastRelax: CMD: min -17.0265 8.28146 3.34829 0.55 protocols.relax.FastRelax: MRP: 4 -17.0265 -17.0276 8.26658 3.3461 protocols.relax.FastRelax: CMD: accept_to_best -17.0265 8.28146 3.34829 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0265 8.28146 3.34829 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_31.pdb protocols.relax.FastRelax: CMD: repeat 11050.6 8.36047 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11050.6 8.36047 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1771.9 8.36047 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 49.9753 8.36047 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 53.2209 8.36047 0 0.02805 protocols.relax.FastRelax: CMD: min -12.7491 7.60561 3.84577 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -12.7491 7.60561 3.84577 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 2.45175 7.60561 3.84577 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.07346 7.60561 3.84577 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1.6952 7.60561 3.84577 0.154 protocols.relax.FastRelax: CMD: min -10.5762 7.93938 2.63304 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -10.5762 7.93938 2.63304 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -4.67666 7.93938 2.63304 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.82112 7.93938 2.63304 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -4.37278 7.93938 2.63304 0.31955 protocols.relax.FastRelax: CMD: min -4.38904 7.93681 2.63374 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -4.38904 7.93681 2.63374 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 4.12875 7.93681 2.63374 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 4.1229 7.93681 2.63374 0.55 protocols.relax.FastRelax: CMD: min -14.2458 8.22047 2.78925 0.55 protocols.relax.FastRelax: MRP: 0 -14.2458 -14.2458 8.22047 2.78925 protocols.relax.FastRelax: CMD: accept_to_best -14.2458 8.22047 2.78925 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.2458 8.22047 2.78925 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.2458 8.22047 2.78925 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -26.6149 8.22047 2.78925 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9206 8.22047 2.78925 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9971 8.22047 2.78925 0.02805 protocols.relax.FastRelax: CMD: min -28.0464 8.21853 2.79345 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -28.0464 8.21853 2.79345 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1036 8.21853 2.79345 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.8028 8.21853 2.79345 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5924 8.21853 2.79345 0.154 protocols.relax.FastRelax: CMD: min -23.6067 8.21705 2.7925 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -23.6067 8.21705 2.7925 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.6919 8.21705 2.7925 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.7455 8.21705 2.7925 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4517 8.21705 2.7925 0.31955 protocols.relax.FastRelax: CMD: min -19.4695 8.21837 2.7892 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -19.4695 8.21837 2.7892 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8913 8.21837 2.7892 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8934 8.21837 2.7892 0.55 protocols.relax.FastRelax: CMD: min -15.6928 8.3365 2.79302 0.55 protocols.relax.FastRelax: MRP: 1 -15.6928 -15.6928 8.3365 2.79302 protocols.relax.FastRelax: CMD: accept_to_best -15.6928 8.3365 2.79302 0.55 protocols.relax.FastRelax: CMD: endrepeat -15.6928 8.3365 2.79302 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -15.6928 8.3365 2.79302 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9475 8.3365 2.79302 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.7228 8.3365 2.79302 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5504 8.3365 2.79302 0.02805 protocols.relax.FastRelax: CMD: min -29.6081 8.33433 2.79741 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6081 8.33433 2.79741 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -6.79494 8.33433 2.79741 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.1288 8.33433 2.79741 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9164 8.33433 2.79741 0.154 protocols.relax.FastRelax: CMD: min -24.927 8.33288 2.8003 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.927 8.33288 2.8003 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.9649 8.33288 2.8003 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.9649 8.33288 2.8003 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.6525 8.33288 2.8003 0.31955 protocols.relax.FastRelax: CMD: min -20.6635 8.33314 2.79829 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -20.6635 8.33314 2.79829 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7289 8.33314 2.79829 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.859 8.33314 2.79829 0.55 protocols.relax.FastRelax: CMD: min -15.6965 8.33977 2.79972 0.55 protocols.relax.FastRelax: MRP: 2 -15.6965 -15.6965 8.33977 2.79972 protocols.relax.FastRelax: CMD: accept_to_best -15.6965 8.33977 2.79972 0.55 protocols.relax.FastRelax: CMD: endrepeat -15.6965 8.33977 2.79972 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -15.6965 8.33977 2.79972 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9537 8.33977 2.79972 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6732 8.33977 2.79972 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5038 8.33977 2.79972 0.02805 protocols.relax.FastRelax: CMD: min -29.5643 8.33796 2.8047 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.5643 8.33796 2.8047 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -6.80738 8.33796 2.8047 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.178 8.33796 2.8047 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9657 8.33796 2.8047 0.154 protocols.relax.FastRelax: CMD: min -24.9755 8.33647 2.807 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.9755 8.33647 2.807 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0154 8.33647 2.807 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.0623 8.33647 2.807 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.7567 8.33647 2.807 0.31955 protocols.relax.FastRelax: CMD: min -20.7789 8.33772 2.80393 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -20.7789 8.33772 2.80393 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9794 8.33772 2.80393 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.9794 8.33772 2.80393 0.55 protocols.relax.FastRelax: CMD: min -15.6999 8.34361 2.80544 0.55 protocols.relax.FastRelax: MRP: 3 -15.6999 -15.6999 8.34361 2.80544 protocols.relax.FastRelax: CMD: accept_to_best -15.6999 8.34361 2.80544 0.55 protocols.relax.FastRelax: CMD: endrepeat -15.6999 8.34361 2.80544 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -15.6999 8.34361 2.80544 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -27.9771 8.34361 2.80544 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6771 8.34361 2.80544 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5056 8.34361 2.80544 0.02805 protocols.relax.FastRelax: CMD: min -29.5658 8.34176 2.81039 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.5658 8.34176 2.81039 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -6.76767 8.34176 2.81039 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.1831 8.34176 2.81039 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9707 8.34176 2.81039 0.154 protocols.relax.FastRelax: CMD: min -24.9803 8.34032 2.81203 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.9803 8.34032 2.81203 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0199 8.34032 2.81203 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.087 8.34032 2.81203 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.7814 8.34032 2.81203 0.31955 protocols.relax.FastRelax: CMD: min -20.8023 8.34155 2.80901 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -20.8023 8.34155 2.80901 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.0025 8.34155 2.80901 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.0025 8.34155 2.80901 0.55 protocols.relax.FastRelax: CMD: min -15.706 8.34804 2.81118 0.55 protocols.relax.FastRelax: MRP: 4 -15.706 -15.706 8.34804 2.81118 protocols.relax.FastRelax: CMD: accept_to_best -15.706 8.34804 2.81118 0.55 protocols.relax.FastRelax: CMD: endrepeat -15.706 8.34804 2.81118 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_24.pdb protocols.relax.FastRelax: CMD: repeat 14431.6 8.31539 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14431.6 8.31539 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2096.46 8.31539 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 32.7525 8.31539 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 37.2492 8.31539 0 0.02805 protocols.relax.FastRelax: CMD: min -43.2416 8.59284 2.04631 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.2416 8.59284 2.04631 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.4596 8.59284 2.04631 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.102 8.59284 2.04631 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.8319 8.59284 2.04631 0.154 protocols.relax.FastRelax: CMD: min -34.4293 8.57454 2.0072 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -34.4293 8.57454 2.0072 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.4852 8.57454 2.0072 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.2081 8.57454 2.0072 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.57 8.57454 2.0072 0.31955 protocols.relax.FastRelax: CMD: min -25.8394 8.57481 1.99851 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.8394 8.57481 1.99851 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.1642 8.57481 1.99851 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.1708 8.57481 1.99851 0.55 protocols.relax.FastRelax: CMD: min -27.2512 9.00159 2.90533 0.55 protocols.relax.FastRelax: MRP: 0 -27.2512 -27.2512 9.00159 2.90533 protocols.relax.FastRelax: CMD: accept_to_best -27.2512 9.00159 2.90533 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.2512 9.00159 2.90533 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -27.2512 9.00159 2.90533 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.4028 9.00159 2.90533 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.8667 9.00159 2.90533 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -44.6548 9.00159 2.90533 0.02805 protocols.relax.FastRelax: CMD: min -51.0488 9.19135 3.3096 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -51.0488 9.19135 3.3096 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.4204 9.19135 3.3096 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.9014 9.19135 3.3096 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8429 9.19135 3.3096 0.154 protocols.relax.FastRelax: CMD: min -42.659 9.05653 3.08065 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.659 9.05653 3.08065 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9109 9.05653 3.08065 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9177 9.05653 3.08065 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3069 9.05653 3.08065 0.31955 protocols.relax.FastRelax: CMD: min -34.6009 9.05973 3.07448 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.6009 9.05973 3.07448 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4048 9.05973 3.07448 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.405 9.05973 3.07448 0.55 protocols.relax.FastRelax: CMD: min -30.7018 9.08857 3.14161 0.55 protocols.relax.FastRelax: MRP: 1 -30.7018 -30.7018 9.08857 3.14161 protocols.relax.FastRelax: CMD: accept_to_best -30.7018 9.08857 3.14161 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.7018 9.08857 3.14161 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.7018 9.08857 3.14161 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.6737 9.08857 3.14161 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4871 9.08857 3.14161 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2814 9.08857 3.14161 0.02805 protocols.relax.FastRelax: CMD: min -50.6634 9.14061 3.28889 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -50.6634 9.14061 3.28889 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.294 9.14061 3.28889 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.3349 9.14061 3.28889 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3285 9.14061 3.28889 0.154 protocols.relax.FastRelax: CMD: min -44.3746 9.05894 3.14333 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -44.3746 9.05894 3.14333 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.6076 9.05894 3.14333 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.6278 9.05894 3.14333 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.0962 9.05894 3.14333 0.31955 protocols.relax.FastRelax: CMD: min -37.1458 9.0607 3.14218 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.1458 9.0607 3.14218 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.1912 9.0607 3.14218 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.1913 9.0607 3.14218 0.55 protocols.relax.FastRelax: CMD: min -30.8788 9.16108 3.22802 0.55 protocols.relax.FastRelax: MRP: 2 -30.8788 -30.8788 9.16108 3.22802 protocols.relax.FastRelax: CMD: accept_to_best -30.8788 9.16108 3.22802 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.8788 9.16108 3.22802 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.8788 9.16108 3.22802 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.9309 9.16108 3.22802 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.7763 9.16108 3.22802 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -47.5693 9.16108 3.22802 0.02805 protocols.relax.FastRelax: CMD: min -52.5719 9.1694 3.33065 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.5719 9.1694 3.33065 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.7632 9.1694 3.33065 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.9694 9.1694 3.33065 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1538 9.1694 3.33065 0.154 protocols.relax.FastRelax: CMD: min -45.0558 9.07926 3.17638 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.0558 9.07926 3.17638 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5328 9.07926 3.17638 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5525 9.07926 3.17638 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9613 9.07926 3.17638 0.31955 protocols.relax.FastRelax: CMD: min -37.3142 9.08127 3.17003 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.3142 9.08127 3.17003 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.6332 9.08127 3.17003 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.6333 9.08127 3.17003 0.55 protocols.relax.FastRelax: CMD: min -30.8789 9.15905 3.22644 0.55 protocols.relax.FastRelax: MRP: 3 -30.8789 -30.8789 9.15905 3.22644 protocols.relax.FastRelax: CMD: accept_to_best -30.8789 9.15905 3.22644 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.8789 9.15905 3.22644 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.8789 9.15905 3.22644 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.9354 9.15905 3.22644 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.7832 9.15905 3.22644 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -47.5759 9.15905 3.22644 0.02805 protocols.relax.FastRelax: CMD: min -52.5824 9.17009 3.33211 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.5824 9.17009 3.33211 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.7352 9.17009 3.33211 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.977 9.17009 3.33211 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1607 9.17009 3.33211 0.154 protocols.relax.FastRelax: CMD: min -45.039 9.07949 3.17594 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.039 9.07949 3.17594 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5045 9.07949 3.17594 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5241 9.07949 3.17594 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9319 9.07949 3.17594 0.31955 protocols.relax.FastRelax: CMD: min -37.2869 9.0815 3.16965 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.2869 9.0815 3.16965 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.5893 9.0815 3.16965 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.5894 9.0815 3.16965 0.55 protocols.relax.FastRelax: CMD: min -30.879 9.15902 3.22628 0.55 protocols.relax.FastRelax: MRP: 4 -30.879 -30.879 9.15902 3.22628 protocols.relax.FastRelax: CMD: accept_to_best -30.879 9.15902 3.22628 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.879 9.15902 3.22628 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_40.pdb protocols.relax.FastRelax: CMD: repeat 12860.7 11.4337 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12860.7 11.4337 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1877.08 11.4337 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 66.9402 11.4337 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 74.9321 11.4337 0 0.02805 protocols.relax.FastRelax: CMD: min -36.4827 11.6761 1.46612 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.4827 11.6761 1.46612 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 1.84248 11.6761 1.46612 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.1325 11.6761 1.46612 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -3.29718 11.6761 1.46612 0.154 protocols.relax.FastRelax: CMD: min -31.6502 11.6805 1.92696 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.6502 11.6805 1.92696 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8322 11.6805 1.92696 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.0832 11.6805 1.92696 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.3093 11.6805 1.92696 0.31955 protocols.relax.FastRelax: CMD: min -21.8116 11.6829 1.90252 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.8116 11.6829 1.90252 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.0708 11.6829 1.90252 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.96161 11.6829 1.90252 0.55 protocols.relax.FastRelax: CMD: min -24.0202 11.5913 1.88066 0.55 protocols.relax.FastRelax: MRP: 0 -24.0202 -24.0202 11.5913 1.88066 protocols.relax.FastRelax: CMD: accept_to_best -24.0202 11.5913 1.88066 0.55 protocols.relax.FastRelax: CMD: endrepeat -24.0202 11.5913 1.88066 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -24.0202 11.5913 1.88066 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -40.8526 11.5913 1.88066 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.3692 11.5913 1.88066 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1604 11.5913 1.88066 0.02805 protocols.relax.FastRelax: CMD: min -42.4918 11.5863 1.88586 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.4918 11.5863 1.88586 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3401 11.5863 1.88586 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.3401 11.5863 1.88586 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.0491 11.5863 1.88586 0.154 protocols.relax.FastRelax: CMD: min -38.1577 11.5835 1.8893 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.1577 11.5835 1.8893 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -32.6682 11.5835 1.8893 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.6682 11.5835 1.8893 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.2354 11.5835 1.8893 0.31955 protocols.relax.FastRelax: CMD: min -32.2505 11.5839 1.89038 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -32.2505 11.5839 1.89038 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0086 11.5839 1.89038 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.0692 11.5839 1.89038 0.55 protocols.relax.FastRelax: CMD: min -26.0008 11.6994 2.3042 0.55 protocols.relax.FastRelax: MRP: 1 -26.0008 -26.0008 11.6994 2.3042 protocols.relax.FastRelax: CMD: accept_to_best -26.0008 11.6994 2.3042 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.0008 11.6994 2.3042 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.0008 11.6994 2.3042 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.4117 11.6994 2.3042 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.7532 11.6994 2.3042 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -42.5548 11.6994 2.3042 0.02805 protocols.relax.FastRelax: CMD: min -42.878 11.6939 2.30974 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.878 11.6939 2.30974 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.9281 11.6939 2.30974 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.9282 11.6939 2.30974 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.6513 11.6939 2.30974 0.154 protocols.relax.FastRelax: CMD: min -38.7559 11.6909 2.31332 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.7559 11.6909 2.31332 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5309 11.6909 2.31332 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.531 11.6909 2.31332 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1189 11.6909 2.31332 0.31955 protocols.relax.FastRelax: CMD: min -33.134 11.6913 2.31431 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.134 11.6913 2.31431 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2914 11.6913 2.31431 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.2914 11.6913 2.31431 0.55 protocols.relax.FastRelax: CMD: min -26.0012 11.6973 2.29725 0.55 protocols.relax.FastRelax: MRP: 2 -26.0012 -26.0012 11.6973 2.29725 protocols.relax.FastRelax: CMD: accept_to_best -26.0012 11.6973 2.29725 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.0012 11.6973 2.29725 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.0012 11.6973 2.29725 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.428 11.6973 2.29725 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.767 11.6973 2.29725 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -42.5684 11.6973 2.29725 0.02805 protocols.relax.FastRelax: CMD: min -42.8913 11.6918 2.30278 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.8913 11.6918 2.30278 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.9387 11.6918 2.30278 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.6616 11.6918 2.30278 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3782 11.6918 2.30278 0.154 protocols.relax.FastRelax: CMD: min -38.4853 11.6888 2.30644 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.4853 11.6888 2.30644 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1385 11.6888 2.30644 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.1385 11.6888 2.30644 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.7169 11.6888 2.30644 0.31955 protocols.relax.FastRelax: CMD: min -32.7327 11.6892 2.30749 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -32.7327 11.6892 2.30749 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.706 11.6892 2.30749 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.706 11.6892 2.30749 0.55 protocols.relax.FastRelax: CMD: min -25.6679 11.7015 2.26752 0.55 protocols.relax.FastRelax: MRP: 3 -25.6679 -26.0012 11.6973 2.29725 protocols.relax.FastRelax: CMD: accept_to_best -25.6679 11.7015 2.26752 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.6679 11.7015 2.26752 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -25.6679 11.7015 2.26752 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.3132 11.7015 2.26752 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.8245 11.7015 2.26752 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -42.619 11.7015 2.26752 0.02805 protocols.relax.FastRelax: CMD: min -42.9483 11.696 2.2732 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.9483 11.696 2.2732 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8601 11.696 2.2732 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.8601 11.696 2.2732 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.5735 11.696 2.2732 0.154 protocols.relax.FastRelax: CMD: min -38.6819 11.693 2.27685 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.6819 11.693 2.27685 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.2754 11.693 2.27685 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.2755 11.693 2.27685 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8491 11.693 2.27685 0.31955 protocols.relax.FastRelax: CMD: min -32.8638 11.6934 2.27781 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -32.8638 11.6934 2.27781 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7457 11.6934 2.27781 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.7457 11.6934 2.27781 0.55 protocols.relax.FastRelax: CMD: min -25.6688 11.7011 2.26577 0.55 protocols.relax.FastRelax: MRP: 4 -25.6688 -26.0012 11.6973 2.29725 protocols.relax.FastRelax: CMD: accept_to_best -25.6688 11.7011 2.26577 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.6688 11.7011 2.26577 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_16.pdb protocols.relax.FastRelax: CMD: repeat 9655.87 12.7621 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9655.87 12.7621 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1712 12.7621 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 390 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 70.9406 12.7621 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 75.9777 12.7621 0 0.02805 protocols.relax.FastRelax: CMD: min -13.7025 11.9467 5.81841 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -13.7025 11.9467 5.81841 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 12.3123 11.9467 5.81841 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 5.49537 11.9467 5.81841 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 7.19664 11.9467 5.81841 0.154 protocols.relax.FastRelax: CMD: min -15.2749 11.7457 6.64938 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.2749 11.7457 6.64938 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -5.5699 11.7457 6.64938 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.71446 11.7457 6.64938 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -4.94988 11.7457 6.64938 0.31955 protocols.relax.FastRelax: CMD: min -11.2897 11.6916 7.11601 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -11.2897 11.6916 7.11601 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.69957 11.6916 7.11601 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.70722 11.6916 7.11601 0.55 protocols.relax.FastRelax: CMD: min -9.86174 11.7702 7.90179 0.55 protocols.relax.FastRelax: MRP: 0 -9.86174 -9.86174 11.7702 7.90179 protocols.relax.FastRelax: CMD: accept_to_best -9.86174 11.7702 7.90179 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.86174 11.7702 7.90179 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -9.86174 11.7702 7.90179 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1914 11.7702 7.90179 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.1498 11.7702 7.90179 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9827 11.7702 7.90179 0.02805 protocols.relax.FastRelax: CMD: min -22.1324 11.7573 7.9078 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.1324 11.7573 7.9078 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.8315 11.7573 7.9078 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.8315 11.7573 7.9078 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.6002 11.7573 7.9078 0.154 protocols.relax.FastRelax: CMD: min -18.6521 11.7496 7.91207 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6521 11.7496 7.91207 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.3118 11.7496 7.91207 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.3118 11.7496 7.91207 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.9696 11.7496 7.91207 0.31955 protocols.relax.FastRelax: CMD: min -13.9839 11.7484 7.91386 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.9839 11.7484 7.91386 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -7.47428 11.7484 7.91386 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.56924 11.7484 7.91386 0.55 protocols.relax.FastRelax: CMD: min -11.9302 12.2455 6.62429 0.55 protocols.relax.FastRelax: MRP: 1 -11.9302 -11.9302 12.2455 6.62429 protocols.relax.FastRelax: CMD: accept_to_best -11.9302 12.2455 6.62429 0.55 protocols.relax.FastRelax: CMD: endrepeat -11.9302 12.2455 6.62429 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -11.9302 12.2455 6.62429 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4363 12.2455 6.62429 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.2236 12.2455 6.62429 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0276 12.2455 6.62429 0.02805 protocols.relax.FastRelax: CMD: min -34.3185 11.6567 7.33549 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.3185 11.6567 7.33549 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0539 11.6567 7.33549 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.6712 11.6567 7.33549 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.2275 11.6567 7.33549 0.154 protocols.relax.FastRelax: CMD: min -24.3044 11.9062 6.83822 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.3044 11.9062 6.83822 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -15.7724 11.9062 6.83822 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 402 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.7728 11.9062 6.83822 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -15.1001 11.9062 6.83822 0.31955 protocols.relax.FastRelax: CMD: min -17.3112 12.0011 6.75646 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.3112 12.0011 6.75646 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.06356 12.0011 6.75646 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 402 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.06358 12.0011 6.75646 0.55 protocols.relax.FastRelax: CMD: min -12.5156 12.3045 6.50562 0.55 protocols.relax.FastRelax: MRP: 2 -12.5156 -12.5156 12.3045 6.50562 protocols.relax.FastRelax: CMD: accept_to_best -12.5156 12.3045 6.50562 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.5156 12.3045 6.50562 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.5156 12.3045 6.50562 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -24.6085 12.3045 6.50562 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.4648 12.3045 6.50562 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2856 12.3045 6.50562 0.02805 protocols.relax.FastRelax: CMD: min -33.1119 12.077 6.85407 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.1119 12.077 6.85407 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -15.616 12.077 6.85407 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.0452 12.077 6.85407 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.8531 12.077 6.85407 0.154 protocols.relax.FastRelax: CMD: min -24.103 12.0052 6.83615 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.103 12.0052 6.83615 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -16.1407 12.0052 6.83615 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.1407 12.0052 6.83615 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -15.5128 12.0052 6.83615 0.31955 protocols.relax.FastRelax: CMD: min -18.0611 12.0997 6.72699 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.0611 12.0997 6.72699 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -10.7985 12.0997 6.72699 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.7996 12.0997 6.72699 0.55 protocols.relax.FastRelax: CMD: min -12.4722 12.3063 6.51755 0.55 protocols.relax.FastRelax: MRP: 3 -12.4722 -12.5156 12.3045 6.50562 protocols.relax.FastRelax: CMD: accept_to_best -12.4722 12.3063 6.51755 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.4722 12.3063 6.51755 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.4722 12.3063 6.51755 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -24.5769 12.3063 6.51755 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.4329 12.3063 6.51755 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2536 12.3063 6.51755 0.02805 protocols.relax.FastRelax: CMD: min -32.9267 12.0307 6.86498 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.9267 12.0307 6.86498 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -15.6324 12.0307 6.86498 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.9369 12.0307 6.86498 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7476 12.0307 6.86498 0.154 protocols.relax.FastRelax: CMD: min -23.9911 12.0187 6.8344 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -23.9911 12.0187 6.8344 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -16.4907 12.0187 6.8344 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.5097 12.0187 6.8344 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -15.9213 12.0187 6.8344 0.31955 protocols.relax.FastRelax: CMD: min -17.5354 12.1611 6.74122 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.5354 12.1611 6.74122 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.8153 12.1611 6.74122 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.81611 12.1611 6.74122 0.55 protocols.relax.FastRelax: CMD: min -12.4624 12.3068 6.52716 0.55 protocols.relax.FastRelax: MRP: 4 -12.4624 -12.5156 12.3045 6.50562 protocols.relax.FastRelax: CMD: accept_to_best -12.4624 12.3068 6.52716 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.4624 12.3068 6.52716 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_43.pdb protocols.relax.FastRelax: CMD: repeat 11387.4 7.75947 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11387.4 7.75947 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1894 7.75947 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 394 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 64.7584 7.75947 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 68.9628 7.75947 0 0.02805 protocols.relax.FastRelax: CMD: min -21.4683 10.5635 7.25816 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -21.4683 10.5635 7.25816 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -6.38441 10.5635 7.25816 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.12243 10.5635 7.25816 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -7.13748 10.5635 7.25816 0.154 protocols.relax.FastRelax: CMD: min -16.5818 10.6261 7.25239 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -16.5818 10.6261 7.25239 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -9.44565 10.6261 7.25239 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.58686 10.6261 7.25239 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -9.02402 10.6261 7.25239 0.31955 protocols.relax.FastRelax: CMD: min -10.973 10.5017 6.97177 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.973 10.5017 6.97177 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.52746 10.5017 6.97177 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.52759 10.5017 6.97177 0.55 protocols.relax.FastRelax: CMD: min -13.2348 9.12912 5.89518 0.55 protocols.relax.FastRelax: MRP: 0 -13.2348 -13.2348 9.12912 5.89518 protocols.relax.FastRelax: CMD: accept_to_best -13.2348 9.12912 5.89518 0.55 protocols.relax.FastRelax: CMD: endrepeat -13.2348 9.12912 5.89518 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -13.2348 9.12912 5.89518 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7947 9.12912 5.89518 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.7202 9.12912 5.89518 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5528 9.12912 5.89518 0.02805 protocols.relax.FastRelax: CMD: min -38.8501 9.09843 5.68135 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -38.8501 9.09843 5.68135 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.8627 9.09843 5.68135 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.9433 9.09843 5.68135 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -16.5386 9.09843 5.68135 0.154 protocols.relax.FastRelax: CMD: min -29.6358 9.15209 5.73411 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6358 9.15209 5.73411 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7453 9.15209 5.73411 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7521 9.15209 5.73411 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1309 9.15209 5.73411 0.31955 protocols.relax.FastRelax: CMD: min -21.7195 9.1439 5.72583 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.7195 9.1439 5.72583 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -10.8363 9.1439 5.72583 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.8363 9.1439 5.72583 0.55 protocols.relax.FastRelax: CMD: min -19.0759 10.1045 7.29217 0.55 protocols.relax.FastRelax: MRP: 1 -19.0759 -19.0759 10.1045 7.29217 protocols.relax.FastRelax: CMD: accept_to_best -19.0759 10.1045 7.29217 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.0759 10.1045 7.29217 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.0759 10.1045 7.29217 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.9411 10.1045 7.29217 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.7731 10.1045 7.29217 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5341 10.1045 7.29217 0.02805 protocols.relax.FastRelax: CMD: min -36.724 10.1548 7.34963 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.724 10.1548 7.34963 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.602 10.1548 7.34963 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.2948 10.1548 7.34963 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.7441 10.1548 7.34963 0.154 protocols.relax.FastRelax: CMD: min -32.2102 10.0823 7.28734 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -32.2102 10.0823 7.28734 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.7314 10.0823 7.28734 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.7334 10.0823 7.28734 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2227 10.0823 7.28734 0.31955 protocols.relax.FastRelax: CMD: min -25.427 10.0855 7.2946 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.427 10.0855 7.2946 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.0704 10.0855 7.2946 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.0791 10.0855 7.2946 0.55 protocols.relax.FastRelax: CMD: min -22.4168 12.3724 10.759 0.55 protocols.relax.FastRelax: MRP: 2 -22.4168 -22.4168 12.3724 10.759 protocols.relax.FastRelax: CMD: accept_to_best -22.4168 12.3724 10.759 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.4168 12.3724 10.759 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.4168 12.3724 10.759 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.3939 12.3724 10.759 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.0021 12.3724 10.759 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8082 12.3724 10.759 0.02805 protocols.relax.FastRelax: CMD: min -39.8606 12.2427 10.5772 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.8606 12.2427 10.5772 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.2573 12.2427 10.5772 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.3327 12.2427 10.5772 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6253 12.2427 10.5772 0.154 protocols.relax.FastRelax: CMD: min -34.9285 12.1195 10.4466 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -34.9285 12.1195 10.4466 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.9755 12.1195 10.4466 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9781 12.1195 10.4466 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5088 12.1195 10.4466 0.31955 protocols.relax.FastRelax: CMD: min -28.5808 12.1209 10.4487 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5808 12.1209 10.4487 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.8269 12.1209 10.4487 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.8303 12.1209 10.4487 0.55 protocols.relax.FastRelax: CMD: min -22.4237 12.3749 10.7556 0.55 protocols.relax.FastRelax: MRP: 3 -22.4237 -22.4237 12.3749 10.7556 protocols.relax.FastRelax: CMD: accept_to_best -22.4237 12.3749 10.7556 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.4237 12.3749 10.7556 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.4237 12.3749 10.7556 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.3917 12.3749 10.7556 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9984 12.3749 10.7556 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8047 12.3749 10.7556 0.02805 protocols.relax.FastRelax: CMD: min -39.8468 12.2419 10.5699 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.8468 12.2419 10.5699 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.014 12.2419 10.5699 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.0918 12.2419 10.5699 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.3685 12.2419 10.5699 0.154 protocols.relax.FastRelax: CMD: min -34.9271 12.121 10.4426 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -34.9271 12.121 10.4426 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.9615 12.121 10.4426 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9642 12.121 10.4426 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4939 12.121 10.4426 0.31955 protocols.relax.FastRelax: CMD: min -28.5735 12.1224 10.4449 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5735 12.1224 10.4449 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.809 12.1224 10.4449 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.8122 12.1224 10.4449 0.55 protocols.relax.FastRelax: CMD: min -22.4251 12.3767 10.7578 0.55 protocols.relax.FastRelax: MRP: 4 -22.4251 -22.4251 12.3767 10.7578 protocols.relax.FastRelax: CMD: accept_to_best -22.4251 12.3767 10.7578 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.4251 12.3767 10.7578 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_2.pdb protocols.relax.FastRelax: CMD: repeat 14462 10.4512 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14462 10.4512 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1969.51 10.4512 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 82.548 10.4512 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 93.9315 10.4512 0 0.02805 protocols.relax.FastRelax: CMD: min -18.814 12.4012 5.95657 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.814 12.4012 5.95657 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 21.0721 12.4012 5.95657 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 10.0537 12.4012 5.95657 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 12.3489 12.4012 5.95657 0.154 protocols.relax.FastRelax: CMD: min -20.2603 13.0155 6.31632 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.2603 13.0155 6.31632 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -8.58137 13.0155 6.31632 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.81401 13.0155 6.31632 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -7.9622 13.0155 6.31632 0.31955 protocols.relax.FastRelax: CMD: min -21.3318 13.2148 6.53207 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.3318 13.2148 6.53207 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.3515 13.2148 6.53207 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.375 13.2148 6.53207 0.55 protocols.relax.FastRelax: CMD: min -28.7727 13.3014 7.1333 0.55 protocols.relax.FastRelax: MRP: 0 -28.7727 -28.7727 13.3014 7.1333 protocols.relax.FastRelax: CMD: accept_to_best -28.7727 13.3014 7.1333 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.7727 13.3014 7.1333 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.7727 13.3014 7.1333 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5061 13.3014 7.1333 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.134 13.3014 7.1333 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5009 13.3014 7.1333 0.02805 protocols.relax.FastRelax: CMD: min -63.658 13.1191 7.43751 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.658 13.1191 7.43751 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0482 13.1191 7.43751 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.617 13.1191 7.43751 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.2567 13.1191 7.43751 0.154 protocols.relax.FastRelax: CMD: min -49.8966 13.2331 7.19985 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.8966 13.2331 7.19985 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.3112 13.2331 7.19985 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.4383 13.2331 7.19985 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.598 13.2331 7.19985 0.31955 protocols.relax.FastRelax: CMD: min -39.4347 13.2657 7.17141 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.4347 13.2657 7.17141 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0969 13.2657 7.17141 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.1386 13.2657 7.17141 0.55 protocols.relax.FastRelax: CMD: min -35.7653 13.3441 7.10674 0.55 protocols.relax.FastRelax: MRP: 1 -35.7653 -35.7653 13.3441 7.10674 protocols.relax.FastRelax: CMD: accept_to_best -35.7653 13.3441 7.10674 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.7653 13.3441 7.10674 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.7653 13.3441 7.10674 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3745 13.3441 7.10674 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.0589 13.3441 7.10674 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3649 13.3441 7.10674 0.02805 protocols.relax.FastRelax: CMD: min -66.4473 13.2413 7.23799 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.4473 13.2413 7.23799 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.5982 13.2413 7.23799 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.8612 13.2413 7.23799 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.0114 13.2413 7.23799 0.154 protocols.relax.FastRelax: CMD: min -52.9588 13.2041 7.08529 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.9588 13.2041 7.08529 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.2618 13.2041 7.08529 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.7381 13.2041 7.08529 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.7316 13.2041 7.08529 0.31955 protocols.relax.FastRelax: CMD: min -43.2197 13.1975 6.9421 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.2197 13.1975 6.9421 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.6168 13.1975 6.9421 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.9105 13.1975 6.9421 0.55 protocols.relax.FastRelax: CMD: min -37.2374 13.3114 6.9284 0.55 protocols.relax.FastRelax: MRP: 2 -37.2374 -37.2374 13.3114 6.9284 protocols.relax.FastRelax: CMD: accept_to_best -37.2374 13.3114 6.9284 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.2374 13.3114 6.9284 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.2374 13.3114 6.9284 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3954 13.3114 6.9284 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.9823 13.3114 6.9284 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -55.7516 13.3114 6.9284 0.02805 protocols.relax.FastRelax: CMD: min -66.5167 13.2333 7.27714 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.5167 13.2333 7.27714 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6957 13.2333 7.27714 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.2925 13.2333 7.27714 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.7849 13.2333 7.27714 0.154 protocols.relax.FastRelax: CMD: min -54.5827 13.1934 7.01977 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -54.5827 13.1934 7.01977 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.4134 13.1934 7.01977 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.4216 13.1934 7.01977 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -41.4627 13.1934 7.01977 0.31955 protocols.relax.FastRelax: CMD: min -45.3615 13.2141 6.91463 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.3615 13.2141 6.91463 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.9245 13.2141 6.91463 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.9384 13.2141 6.91463 0.55 protocols.relax.FastRelax: CMD: min -37.4115 13.3177 6.9475 0.55 protocols.relax.FastRelax: MRP: 3 -37.4115 -37.4115 13.3177 6.9475 protocols.relax.FastRelax: CMD: accept_to_best -37.4115 13.3177 6.9475 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.4115 13.3177 6.9475 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.4115 13.3177 6.9475 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6365 13.3177 6.9475 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.2393 13.3177 6.9475 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -56.0068 13.3177 6.9475 0.02805 protocols.relax.FastRelax: CMD: min -69.1734 13.1112 7.25271 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.1734 13.1112 7.25271 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.0093 13.1112 7.25271 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.7964 13.1112 7.25271 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2355 13.1112 7.25271 0.154 protocols.relax.FastRelax: CMD: min -55.0574 13.18 7.04904 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.0574 13.18 7.04904 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8965 13.18 7.04904 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.8988 13.18 7.04904 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9401 13.18 7.04904 0.31955 protocols.relax.FastRelax: CMD: min -45.2651 13.2071 6.9642 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2651 13.2071 6.9642 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.2683 13.2071 6.9642 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.2779 13.2071 6.9642 0.55 protocols.relax.FastRelax: CMD: min -37.4123 13.3214 6.95176 0.55 protocols.relax.FastRelax: MRP: 4 -37.4123 -37.4123 13.3214 6.95176 protocols.relax.FastRelax: CMD: accept_to_best -37.4123 13.3214 6.95176 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.4123 13.3214 6.95176 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_4.pdb protocols.relax.FastRelax: CMD: repeat 14032.2 9.21845 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14032.2 9.21845 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1908.54 9.21845 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 391 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 75.8748 9.21845 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 89.6788 9.21845 0 0.02805 protocols.relax.FastRelax: CMD: min -28.1813 9.70611 1.34995 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -28.1813 9.70611 1.34995 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 2.05977 9.70611 1.34995 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.38455 9.70611 1.34995 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -2.91337 9.70611 1.34995 0.154 protocols.relax.FastRelax: CMD: min -14.7917 9.67811 1.40216 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -14.7917 9.67811 1.40216 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -2.40285 9.67811 1.40216 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.22196 9.67811 1.40216 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -3.3071 9.67811 1.40216 0.31955 protocols.relax.FastRelax: CMD: min -22.9081 10.2194 2.12404 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.9081 10.2194 2.12404 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.7216 10.2194 2.12404 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 396 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.9162 10.2194 2.12404 0.55 protocols.relax.FastRelax: CMD: min -23.2003 10.7579 3.14377 0.55 protocols.relax.FastRelax: MRP: 0 -23.2003 -23.2003 10.7579 3.14377 protocols.relax.FastRelax: CMD: accept_to_best -23.2003 10.7579 3.14377 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.2003 10.7579 3.14377 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -23.2003 10.7579 3.14377 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -38.491 10.7579 3.14377 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.4492 10.7579 3.14377 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -40.2221 10.7579 3.14377 0.02805 protocols.relax.FastRelax: CMD: min -50.9927 10.805 3.54658 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9927 10.805 3.54658 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.8469 10.805 3.54658 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.1628 10.805 3.54658 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5446 10.805 3.54658 0.154 protocols.relax.FastRelax: CMD: min -35.6816 10.7646 3.36127 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.6816 10.7646 3.36127 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9868 10.7646 3.36127 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.0381 10.7646 3.36127 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.1938 10.7646 3.36127 0.31955 protocols.relax.FastRelax: CMD: min -33.1711 10.8616 3.28168 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.1711 10.8616 3.28168 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.8183 10.8616 3.28168 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.8192 10.8616 3.28168 0.55 protocols.relax.FastRelax: CMD: min -28.8701 11.0129 3.34969 0.55 protocols.relax.FastRelax: MRP: 1 -28.8701 -28.8701 11.0129 3.34969 protocols.relax.FastRelax: CMD: accept_to_best -28.8701 11.0129 3.34969 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.8701 11.0129 3.34969 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.8701 11.0129 3.34969 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2431 11.0129 3.34969 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4191 11.0129 3.34969 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -43.6863 11.0129 3.34969 0.02805 protocols.relax.FastRelax: CMD: min -43.9271 11.015 3.35651 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.9271 11.015 3.35651 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7171 11.015 3.35651 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.6421 11.015 3.35651 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.3611 11.015 3.35651 0.154 protocols.relax.FastRelax: CMD: min -39.5346 11.0132 3.35299 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.5346 11.0132 3.35299 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.1877 11.0132 3.35299 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.1877 11.0132 3.35299 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.766 11.0132 3.35299 0.31955 protocols.relax.FastRelax: CMD: min -33.8474 11.0115 3.35183 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8474 11.0115 3.35183 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.9021 11.0115 3.35183 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 398 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.9021 11.0115 3.35183 0.55 protocols.relax.FastRelax: CMD: min -28.8709 11.0148 3.35453 0.55 protocols.relax.FastRelax: MRP: 2 -28.8709 -28.8709 11.0148 3.35453 protocols.relax.FastRelax: CMD: accept_to_best -28.8709 11.0148 3.35453 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.8709 11.0148 3.35453 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.8709 11.0148 3.35453 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2748 11.0148 3.35453 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4001 11.0148 3.35453 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -43.6621 11.0148 3.35453 0.02805 protocols.relax.FastRelax: CMD: min -47.6309 11.022 3.5575 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.6309 11.022 3.5575 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.5236 11.022 3.5575 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 485 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5318 11.022 3.5575 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1404 11.022 3.5575 0.154 protocols.relax.FastRelax: CMD: min -41.9083 11.0376 3.5249 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9083 11.0376 3.5249 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6771 11.0376 3.5249 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.8354 11.0376 3.5249 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1916 11.0376 3.5249 0.31955 protocols.relax.FastRelax: CMD: min -33.9899 11.0358 3.52348 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.9899 11.0358 3.52348 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.8746 11.0358 3.52348 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 396 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.8746 11.0358 3.52348 0.55 protocols.relax.FastRelax: CMD: min -29.6299 10.9751 3.40291 0.55 protocols.relax.FastRelax: MRP: 3 -29.6299 -29.6299 10.9751 3.40291 protocols.relax.FastRelax: CMD: accept_to_best -29.6299 10.9751 3.40291 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.6299 10.9751 3.40291 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6299 10.9751 3.40291 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -43.3997 10.9751 3.40291 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.1865 10.9751 3.40291 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9956 10.9751 3.40291 0.02805 protocols.relax.FastRelax: CMD: min -52.1692 11.0724 3.68245 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.1692 11.0724 3.68245 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0998 11.0724 3.68245 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.1253 11.0724 3.68245 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6054 11.0724 3.68245 0.154 protocols.relax.FastRelax: CMD: min -42.4854 11.1037 3.67891 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.4854 11.1037 3.67891 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.193 11.1037 3.67891 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.193 11.1037 3.67891 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5391 11.1037 3.67891 0.31955 protocols.relax.FastRelax: CMD: min -34.077 11.1058 3.67006 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.077 11.1058 3.67006 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.4386 11.1058 3.67006 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.4421 11.1058 3.67006 0.55 protocols.relax.FastRelax: CMD: min -29.7674 10.9753 3.40148 0.55 protocols.relax.FastRelax: MRP: 4 -29.7674 -29.7674 10.9753 3.40148 protocols.relax.FastRelax: CMD: accept_to_best -29.7674 10.9753 3.40148 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.7674 10.9753 3.40148 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_34.pdb protocols.relax.FastRelax: CMD: repeat 10941.9 10.4524 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10941.9 10.4524 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1805.84 10.4524 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 386 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 74.5003 10.4524 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 78.3285 10.4524 0 0.02805 protocols.relax.FastRelax: CMD: min -2.57263 13.6435 9.65122 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -2.57263 13.6435 9.65122 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 38.3338 13.6435 9.65122 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 17.2044 13.6435 9.65122 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 19.0877 13.6435 9.65122 0.154 protocols.relax.FastRelax: CMD: min -9.3145 14.718 10.5402 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -9.3145 14.718 10.5402 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -0.359396 14.718 10.5402 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -0.378413 14.718 10.5402 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 0.325994 14.718 10.5402 0.31955 protocols.relax.FastRelax: CMD: min -2.95331 15.226 10.8742 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -2.95331 15.226 10.8742 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 5.40852 15.226 10.8742 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 5.39502 15.226 10.8742 0.55 protocols.relax.FastRelax: CMD: min -3.3857 15.8463 11.4812 0.55 protocols.relax.FastRelax: MRP: 0 -3.3857 -3.3857 15.8463 11.4812 protocols.relax.FastRelax: CMD: accept_to_best -3.3857 15.8463 11.4812 0.55 protocols.relax.FastRelax: CMD: endrepeat -3.3857 15.8463 11.4812 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -3.3857 15.8463 11.4812 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -17.4509 15.8463 11.4812 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.3722 15.8463 11.4812 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -19.8308 15.8463 11.4812 0.02805 protocols.relax.FastRelax: CMD: min -19.8693 15.8426 11.4779 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -19.8693 15.8426 11.4779 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -9.33631 15.8426 11.4779 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.0967 15.8426 11.4779 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.8459 15.8426 11.4779 0.154 protocols.relax.FastRelax: CMD: min -14.8646 15.8397 11.4756 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -14.8646 15.8397 11.4756 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.1914 15.8397 11.4756 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.1914 15.8397 11.4756 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -9.82287 15.8397 11.4756 0.31955 protocols.relax.FastRelax: CMD: min -9.82871 15.8383 11.4746 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -9.82871 15.8383 11.4746 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -2.80622 15.8383 11.4746 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.80623 15.8383 11.4746 0.55 protocols.relax.FastRelax: CMD: min -5.08564 15.8063 11.4948 0.55 protocols.relax.FastRelax: MRP: 1 -5.08564 -5.08564 15.8063 11.4948 protocols.relax.FastRelax: CMD: accept_to_best -5.08564 15.8063 11.4948 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.08564 15.8063 11.4948 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.08564 15.8063 11.4948 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.9789 15.8063 11.4948 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.9512 15.8063 11.4948 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -20.4106 15.8063 11.4948 0.02805 protocols.relax.FastRelax: CMD: min -20.45 15.8026 11.4916 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -20.45 15.8026 11.4916 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -9.93278 15.8026 11.4916 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.7409 15.8026 11.4916 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.4939 15.8026 11.4916 0.154 protocols.relax.FastRelax: CMD: min -15.5126 15.7999 11.4893 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.5126 15.7999 11.4893 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.9097 15.7999 11.4893 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.9097 15.7999 11.4893 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.5468 15.7999 11.4893 0.31955 protocols.relax.FastRelax: CMD: min -10.5521 15.7987 11.4884 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.5521 15.7987 11.4884 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.635 15.7987 11.4884 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.63501 15.7987 11.4884 0.55 protocols.relax.FastRelax: CMD: min -5.08588 15.8023 11.4916 0.55 protocols.relax.FastRelax: MRP: 2 -5.08588 -5.08588 15.8023 11.4916 protocols.relax.FastRelax: CMD: accept_to_best -5.08588 15.8023 11.4916 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.08588 15.8023 11.4916 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.08588 15.8023 11.4916 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.9743 15.8023 11.4916 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.9497 15.8023 11.4916 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -20.4108 15.8023 11.4916 0.02805 protocols.relax.FastRelax: CMD: min -20.4502 15.7987 11.4884 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -20.4502 15.7987 11.4884 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -9.96561 15.7987 11.4884 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.7359 15.7987 11.4884 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.4891 15.7987 11.4884 0.154 protocols.relax.FastRelax: CMD: min -15.5079 15.7959 11.4861 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.5079 15.7959 11.4861 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.908 15.7959 11.4861 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.908 15.7959 11.4861 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.5453 15.7959 11.4861 0.31955 protocols.relax.FastRelax: CMD: min -10.5506 15.7947 11.4852 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.5506 15.7947 11.4852 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.63794 15.7947 11.4852 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.63795 15.7947 11.4852 0.55 protocols.relax.FastRelax: CMD: min -5.08586 15.8016 11.4908 0.55 protocols.relax.FastRelax: MRP: 3 -5.08586 -5.08588 15.8023 11.4916 protocols.relax.FastRelax: CMD: accept_to_best -5.08586 15.8016 11.4908 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.08586 15.8016 11.4908 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.08586 15.8016 11.4908 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -18.9739 15.8016 11.4908 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.9486 15.8016 11.4908 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -20.4095 15.8016 11.4908 0.02805 protocols.relax.FastRelax: CMD: min -20.449 15.798 11.4876 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -20.449 15.798 11.4876 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -9.96217 15.798 11.4876 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.7356 15.798 11.4876 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.4888 15.798 11.4876 0.154 protocols.relax.FastRelax: CMD: min -15.5076 15.7952 11.4853 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.5076 15.7952 11.4853 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.908 15.7952 11.4853 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.908 15.7952 11.4853 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.5453 15.7952 11.4853 0.31955 protocols.relax.FastRelax: CMD: min -10.5506 15.794 11.4844 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.5506 15.794 11.4844 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.63843 15.794 11.4844 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.63844 15.794 11.4844 0.55 protocols.relax.FastRelax: CMD: min -5.08472 15.7996 11.4896 0.55 protocols.relax.FastRelax: MRP: 4 -5.08472 -5.08588 15.8023 11.4916 protocols.relax.FastRelax: CMD: accept_to_best -5.08472 15.7996 11.4896 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.08472 15.7996 11.4896 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_19.pdb protocols.relax.FastRelax: CMD: repeat 11177.2 10.475 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11177.2 10.475 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1728.14 10.475 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 59.6764 10.475 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 70.8252 10.475 0 0.02805 protocols.relax.FastRelax: CMD: min -42.2559 10.0775 1.99512 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.2559 10.0775 1.99512 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 4.83471 10.0775 1.99512 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -0.311176 10.0775 1.99512 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 2.46345 10.0775 1.99512 0.154 protocols.relax.FastRelax: CMD: min -36.4682 10.1658 1.78829 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.4682 10.1658 1.78829 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3879 10.1658 1.78829 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.2991 10.1658 1.78829 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1784 10.1658 1.78829 0.31955 protocols.relax.FastRelax: CMD: min -27.2858 10.1446 1.80163 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.2858 10.1446 1.80163 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.3901 10.1446 1.80163 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.6212 10.1446 1.80163 0.55 protocols.relax.FastRelax: CMD: min -26.9243 9.84898 2.455 0.55 protocols.relax.FastRelax: MRP: 0 -26.9243 -26.9243 9.84898 2.455 protocols.relax.FastRelax: CMD: accept_to_best -26.9243 9.84898 2.455 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.9243 9.84898 2.455 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.9243 9.84898 2.455 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7539 9.84898 2.455 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.9763 9.84898 2.455 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3141 9.84898 2.455 0.02805 protocols.relax.FastRelax: CMD: min -69.2491 9.80935 2.34565 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.2491 9.80935 2.34565 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.6149 9.80935 2.34565 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.6204 9.80935 2.34565 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.484 9.80935 2.34565 0.154 protocols.relax.FastRelax: CMD: min -47.4478 9.78347 2.44987 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.4478 9.78347 2.44987 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.7421 9.78347 2.44987 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.8785 9.78347 2.44987 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5593 9.78347 2.44987 0.31955 protocols.relax.FastRelax: CMD: min -33.2073 9.769 2.51596 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.2073 9.769 2.51596 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.1667 9.769 2.51596 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2437 9.769 2.51596 0.55 protocols.relax.FastRelax: CMD: min -29.8617 9.8098 2.65175 0.55 protocols.relax.FastRelax: MRP: 1 -29.8617 -29.8617 9.8098 2.65175 protocols.relax.FastRelax: CMD: accept_to_best -29.8617 9.8098 2.65175 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.8617 9.8098 2.65175 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.8617 9.8098 2.65175 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -48.3587 9.8098 2.65175 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.4533 9.8098 2.65175 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.1276 9.8098 2.65175 0.02805 protocols.relax.FastRelax: CMD: min -67.2662 9.85617 2.45634 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.2662 9.85617 2.45634 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8245 9.85617 2.45634 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.5593 9.85617 2.45634 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.9332 9.85617 2.45634 0.154 protocols.relax.FastRelax: CMD: min -49.1073 9.76984 2.59121 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.1073 9.76984 2.59121 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.6927 9.76984 2.59121 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9183 9.76984 2.59121 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8188 9.76984 2.59121 0.31955 protocols.relax.FastRelax: CMD: min -35.5462 9.76558 2.64745 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5462 9.76558 2.64745 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5048 9.76558 2.64745 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.9418 9.76558 2.64745 0.55 protocols.relax.FastRelax: CMD: min -30.6946 9.74257 2.7841 0.55 protocols.relax.FastRelax: MRP: 2 -30.6946 -30.6946 9.74257 2.7841 protocols.relax.FastRelax: CMD: accept_to_best -30.6946 9.74257 2.7841 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.6946 9.74257 2.7841 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.6946 9.74257 2.7841 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6251 9.74257 2.7841 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2403 9.74257 2.7841 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.9804 9.74257 2.7841 0.02805 protocols.relax.FastRelax: CMD: min -67.6305 9.76381 2.60451 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6305 9.76381 2.60451 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5523 9.76381 2.60451 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.1647 9.76381 2.60451 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -29.6944 9.76381 2.60451 0.154 protocols.relax.FastRelax: CMD: min -49.7491 9.71531 2.71189 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.7491 9.71531 2.71189 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7167 9.71531 2.71189 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.8617 9.71531 2.71189 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.7552 9.71531 2.71189 0.31955 protocols.relax.FastRelax: CMD: min -36.169 9.71079 2.76547 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.169 9.71079 2.76547 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5907 9.71079 2.76547 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5958 9.71079 2.76547 0.55 protocols.relax.FastRelax: CMD: min -30.6945 9.73732 2.79851 0.55 protocols.relax.FastRelax: MRP: 3 -30.6945 -30.6946 9.74257 2.7841 protocols.relax.FastRelax: CMD: accept_to_best -30.6945 9.73732 2.79851 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.6945 9.73732 2.79851 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.6945 9.73732 2.79851 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6328 9.73732 2.79851 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 461 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.2319 9.73732 2.79851 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.9729 9.73732 2.79851 0.02805 protocols.relax.FastRelax: CMD: min -69.3156 9.72442 2.57339 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3156 9.72442 2.57339 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.7245 9.72442 2.57339 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9392 9.72442 2.57339 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1602 9.72442 2.57339 0.154 protocols.relax.FastRelax: CMD: min -49.9167 9.71882 2.67518 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.9167 9.71882 2.67518 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2818 9.71882 2.67518 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.3145 9.71882 2.67518 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.1648 9.71882 2.67518 0.31955 protocols.relax.FastRelax: CMD: min -37.3171 9.7258 2.72918 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.3171 9.7258 2.72918 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.4532 9.7258 2.72918 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.4929 9.7258 2.72918 0.55 protocols.relax.FastRelax: CMD: min -30.8336 9.80749 2.53631 0.55 protocols.relax.FastRelax: MRP: 4 -30.8336 -30.8336 9.80749 2.53631 protocols.relax.FastRelax: CMD: accept_to_best -30.8336 9.80749 2.53631 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.8336 9.80749 2.53631 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_29.pdb protocols.relax.FastRelax: CMD: repeat 12658.3 6.42145 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12658.3 6.42145 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1914.34 6.42145 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 401 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 34.4899 6.42145 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 37.6838 6.42145 0 0.02805 protocols.relax.FastRelax: CMD: min 37.6007 6.41846 0.00789102 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 37.6007 6.41846 0.00789102 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 99.5153 6.41846 0.00789102 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 354 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 77.4552 6.41846 0.00789102 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 79.7034 6.41846 0.00789102 0.154 protocols.relax.FastRelax: CMD: min -12.7347 6.79776 3.39158 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -12.7347 6.79776 3.39158 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -5.01953 6.79776 3.39158 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.70118 6.79776 3.39158 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -8.03075 6.79776 3.39158 0.31955 protocols.relax.FastRelax: CMD: min -8.06007 6.7972 3.39128 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -8.06007 6.7972 3.39128 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 4.67866 6.7972 3.39128 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 3.88427 6.7972 3.39128 0.55 protocols.relax.FastRelax: CMD: min -14.1562 6.85703 4.57173 0.55 protocols.relax.FastRelax: MRP: 0 -14.1562 -14.1562 6.85703 4.57173 protocols.relax.FastRelax: CMD: accept_to_best -14.1562 6.85703 4.57173 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.1562 6.85703 4.57173 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.1562 6.85703 4.57173 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -27.7467 6.85703 4.57173 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.7598 6.85703 4.57173 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.4641 6.85703 4.57173 0.02805 protocols.relax.FastRelax: CMD: min -30.4879 6.85674 4.57159 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -30.4879 6.85674 4.57159 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7307 6.85674 4.57159 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.557 6.85674 4.57159 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.3165 6.85674 4.57159 0.154 protocols.relax.FastRelax: CMD: min -26.329 6.85655 4.57144 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.329 6.85655 4.57144 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8517 6.85655 4.57144 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.8518 6.85655 4.57144 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4987 6.85655 4.57144 0.31955 protocols.relax.FastRelax: CMD: min -21.5034 6.85652 4.57134 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.5034 6.85652 4.57134 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.777 6.85652 4.57134 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.777 6.85652 4.57134 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 3.8147e-06 Deriv= -0.0222931 Finite Diff= 0.00248035 protocols.relax.FastRelax: CMD: min -18.7654 7.06432 5.47509 0.55 protocols.relax.FastRelax: MRP: 1 -18.7654 -18.7654 7.06432 5.47509 protocols.relax.FastRelax: CMD: accept_to_best -18.7654 7.06432 5.47509 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.7654 7.06432 5.47509 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.7654 7.06432 5.47509 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0509 7.06432 5.47509 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.0783 7.06432 5.47509 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8322 7.06432 5.47509 0.02805 protocols.relax.FastRelax: CMD: min -33.87 7.06451 5.4716 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.87 7.06451 5.4716 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.0804 7.06451 5.4716 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.9498 7.06451 5.4716 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -29.713 7.06451 5.4716 0.154 protocols.relax.FastRelax: CMD: min -29.7455 7.06419 5.46679 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.7455 7.06419 5.46679 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3396 7.06419 5.46679 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 399 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.3397 7.06419 5.46679 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9923 7.06419 5.46679 0.31955 protocols.relax.FastRelax: CMD: min -25.0263 7.06323 5.46041 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.0263 7.06323 5.46041 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4149 7.06323 5.46041 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 399 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.4149 7.06323 5.46041 0.55 protocols.relax.FastRelax: CMD: min -20.3374 6.99747 5.14086 0.55 protocols.relax.FastRelax: MRP: 2 -20.3374 -20.3374 6.99747 5.14086 protocols.relax.FastRelax: CMD: accept_to_best -20.3374 6.99747 5.14086 0.55 protocols.relax.FastRelax: CMD: endrepeat -20.3374 6.99747 5.14086 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -20.3374 6.99747 5.14086 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4812 6.99747 5.14086 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.5169 6.99747 5.14086 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2706 6.99747 5.14086 0.02805 protocols.relax.FastRelax: CMD: min -35.2962 6.99836 5.14254 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -35.2962 6.99836 5.14254 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.4988 6.99836 5.14254 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.3833 6.99836 5.14254 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.1471 6.99836 5.14254 0.154 protocols.relax.FastRelax: CMD: min -31.16 6.99901 5.14372 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.16 6.99901 5.14372 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7614 6.99901 5.14372 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.7614 6.99901 5.14372 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -26.4145 6.99901 5.14372 0.31955 protocols.relax.FastRelax: CMD: min -26.4179 6.99937 5.14428 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.4179 6.99937 5.14428 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.8082 6.99937 5.14428 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.8082 6.99937 5.14428 0.55 protocols.relax.FastRelax: CMD: min -20.3378 6.99029 5.13681 0.55 protocols.relax.FastRelax: MRP: 3 -20.3378 -20.3378 6.99029 5.13681 protocols.relax.FastRelax: CMD: accept_to_best -20.3378 6.99029 5.13681 0.55 protocols.relax.FastRelax: CMD: endrepeat -20.3378 6.99029 5.13681 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -20.3378 6.99029 5.13681 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4808 6.99029 5.13681 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.535 6.99029 5.13681 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2892 6.99029 5.13681 0.02805 protocols.relax.FastRelax: CMD: min -35.3148 6.99118 5.13851 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -35.3148 6.99118 5.13851 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5286 6.99118 5.13851 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.3908 6.99118 5.13851 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.1543 6.99118 5.13851 0.154 protocols.relax.FastRelax: CMD: min -31.1671 6.99185 5.13971 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.1671 6.99185 5.13971 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7618 6.99185 5.13971 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.7618 6.99185 5.13971 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -26.4144 6.99185 5.13971 0.31955 protocols.relax.FastRelax: CMD: min -26.4178 6.99223 5.14029 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.4178 6.99223 5.14029 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.7979 6.99223 5.14029 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.7979 6.99223 5.14029 0.55 protocols.relax.FastRelax: CMD: min -20.3379 6.98647 5.13545 0.55 protocols.relax.FastRelax: MRP: 4 -20.3379 -20.3379 6.98647 5.13545 protocols.relax.FastRelax: CMD: accept_to_best -20.3379 6.98647 5.13545 0.55 protocols.relax.FastRelax: CMD: endrepeat -20.3379 6.98647 5.13545 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_45.pdb protocols.relax.FastRelax: CMD: repeat 10481.5 10.6611 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10481.5 10.6611 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1780.48 10.6611 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 385 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 67.5099 10.6611 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 73.25 10.6611 0 0.02805 protocols.relax.FastRelax: CMD: min -24.0136 9.92637 4.43941 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -24.0136 9.92637 4.43941 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 8.02813 9.92637 4.43941 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.4779 9.92637 4.43941 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.5451 9.92637 4.43941 0.154 protocols.relax.FastRelax: CMD: min -23.4702 9.93892 4.82406 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -23.4702 9.93892 4.82406 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -16.0825 9.93892 4.82406 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.4663 9.93892 4.82406 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -16.9053 9.93892 4.82406 0.31955 protocols.relax.FastRelax: CMD: min -18.5916 9.99143 4.79636 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5916 9.99143 4.79636 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.62782 9.99143 4.79636 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.62849 9.99143 4.79636 0.55 protocols.relax.FastRelax: CMD: min -26.5598 10.3322 5.14836 0.55 protocols.relax.FastRelax: MRP: 0 -26.5598 -26.5598 10.3322 5.14836 protocols.relax.FastRelax: CMD: accept_to_best -26.5598 10.3322 5.14836 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.5598 10.3322 5.14836 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.5598 10.3322 5.14836 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7918 10.3322 5.14836 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.3599 10.3322 5.14836 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1469 10.3322 5.14836 0.02805 protocols.relax.FastRelax: CMD: min -51.6206 10.54 5.32543 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -51.6206 10.54 5.32543 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.9877 10.54 5.32543 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.9681 10.54 5.32543 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.1258 10.54 5.32543 0.154 protocols.relax.FastRelax: CMD: min -38.6161 10.481 5.16779 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.6161 10.481 5.16779 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2107 10.481 5.16779 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 401 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.9432 10.481 5.16779 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2389 10.481 5.16779 0.31955 protocols.relax.FastRelax: CMD: min -28.5866 10.4735 5.18661 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5866 10.4735 5.18661 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.9008 10.4735 5.18661 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 390 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.1217 10.4735 5.18661 0.55 protocols.relax.FastRelax: CMD: min -28.7502 10.3776 5.29714 0.55 protocols.relax.FastRelax: MRP: 1 -28.7502 -28.7502 10.3776 5.29714 protocols.relax.FastRelax: CMD: accept_to_best -28.7502 10.3776 5.29714 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.7502 10.3776 5.29714 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.7502 10.3776 5.29714 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -40.448 10.3776 5.29714 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.7232 10.3776 5.29714 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3783 10.3776 5.29714 0.02805 protocols.relax.FastRelax: CMD: min -52.1634 10.4997 5.47487 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.1634 10.4997 5.47487 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4575 10.4997 5.47487 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.1551 10.4997 5.47487 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.689 10.4997 5.47487 0.154 protocols.relax.FastRelax: CMD: min -36.6063 10.4947 5.36293 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.6063 10.4947 5.36293 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0824 10.4947 5.36293 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.1546 10.4947 5.36293 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.1701 10.4947 5.36293 0.31955 protocols.relax.FastRelax: CMD: min -34.185 10.3805 5.37125 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.185 10.3805 5.37125 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.4253 10.3805 5.37125 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4355 10.3805 5.37125 0.55 protocols.relax.FastRelax: CMD: min -29.925 10.4184 5.30746 0.55 protocols.relax.FastRelax: MRP: 2 -29.925 -29.925 10.4184 5.30746 protocols.relax.FastRelax: CMD: accept_to_best -29.925 10.4184 5.30746 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.925 10.4184 5.30746 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.925 10.4184 5.30746 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1021 10.4184 5.30746 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.2088 10.4184 5.30746 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8577 10.4184 5.30746 0.02805 protocols.relax.FastRelax: CMD: min -45.2785 10.5235 5.37363 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2785 10.5235 5.37363 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.1386 10.5235 5.37363 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.4077 10.5235 5.37363 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5839 10.5235 5.37363 0.154 protocols.relax.FastRelax: CMD: min -40.187 10.4198 5.37977 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -40.187 10.4198 5.37977 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8888 10.4198 5.37977 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 402 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.8984 10.4198 5.37977 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.4027 10.4198 5.37977 0.31955 protocols.relax.FastRelax: CMD: min -35.4991 10.4256 5.34232 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.4991 10.4256 5.34232 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.784 10.4256 5.34232 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 395 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.786 10.4256 5.34232 0.55 protocols.relax.FastRelax: CMD: min -29.9287 10.421 5.30719 0.55 protocols.relax.FastRelax: MRP: 3 -29.9287 -29.9287 10.421 5.30719 protocols.relax.FastRelax: CMD: accept_to_best -29.9287 10.421 5.30719 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.9287 10.421 5.30719 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.9287 10.421 5.30719 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1016 10.421 5.30719 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1977 10.421 5.30719 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8458 10.421 5.30719 0.02805 protocols.relax.FastRelax: CMD: min -45.3162 10.5238 5.36802 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -45.3162 10.5238 5.36802 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.1155 10.5238 5.36802 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.4544 10.5238 5.36802 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6297 10.5238 5.36802 0.154 protocols.relax.FastRelax: CMD: min -40.6975 10.4369 5.3499 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -40.6975 10.4369 5.3499 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8933 10.4369 5.3499 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.8984 10.4369 5.3499 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4415 10.4369 5.3499 0.31955 protocols.relax.FastRelax: CMD: min -35.0476 10.4317 5.36737 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.0476 10.4317 5.36737 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.2533 10.4317 5.36737 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 393 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.2593 10.4317 5.36737 0.55 protocols.relax.FastRelax: CMD: min -29.9335 10.4215 5.30952 0.55 protocols.relax.FastRelax: MRP: 4 -29.9335 -29.9335 10.4215 5.30952 protocols.relax.FastRelax: CMD: accept_to_best -29.9335 10.4215 5.30952 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.9335 10.4215 5.30952 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_1.pdb protocols.relax.FastRelax: CMD: repeat 11597.5 8.06215 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11597.5 8.06215 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1886.32 8.06215 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 85.2471 8.06215 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 94.0636 8.06215 0 0.02805 protocols.relax.FastRelax: CMD: min -21.652 8.29063 11.2524 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -21.652 8.29063 11.2524 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -5.45928 8.29063 11.2524 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.81145 8.29063 11.2524 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -6.69887 8.29063 11.2524 0.154 protocols.relax.FastRelax: CMD: min -15.0411 8.37787 11.148 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -15.0411 8.37787 11.148 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -6.01193 8.37787 11.148 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.1246 8.37787 11.148 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -5.42431 8.37787 11.148 0.31955 protocols.relax.FastRelax: CMD: min -5.47342 8.37795 11.1447 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -5.47342 8.37795 11.1447 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 7.83157 8.37795 11.1447 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 7.83113 8.37795 11.1447 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 3.8147e-06 Deriv= -0.0196431 Finite Diff= -0.00113395 protocols.relax.FastRelax: CMD: min -13.6954 8.62078 10.5509 0.55 protocols.relax.FastRelax: MRP: 0 -13.6954 -13.6954 8.62078 10.5509 protocols.relax.FastRelax: CMD: accept_to_best -13.6954 8.62078 10.5509 0.55 protocols.relax.FastRelax: CMD: endrepeat -13.6954 8.62078 10.5509 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -13.6954 8.62078 10.5509 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -25.8797 8.62078 10.5509 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0092 8.62078 10.5509 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -27.6348 8.62078 10.5509 0.02805 protocols.relax.FastRelax: CMD: min -31.2193 8.69173 10.42 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.2193 8.69173 10.42 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.0375 8.69173 10.42 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.1886 8.69173 10.42 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4178 8.69173 10.42 0.154 protocols.relax.FastRelax: CMD: min -20.8628 8.66895 10.5097 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.8628 8.66895 10.5097 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -8.62211 8.66895 10.5097 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.62312 8.66895 10.5097 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -7.6579 8.66895 10.5097 0.31955 protocols.relax.FastRelax: CMD: min -18.254 8.6006 10.5513 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.254 8.6006 10.5513 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.7453 8.6006 10.5513 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.124 8.6006 10.5513 0.55 protocols.relax.FastRelax: CMD: min -17.0185 8.49596 10.6283 0.55 protocols.relax.FastRelax: MRP: 1 -17.0185 -17.0185 8.49596 10.6283 protocols.relax.FastRelax: CMD: accept_to_best -17.0185 8.49596 10.6283 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0185 8.49596 10.6283 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.0185 8.49596 10.6283 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8921 8.49596 10.6283 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.6775 8.49596 10.6283 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5133 8.49596 10.6283 0.02805 protocols.relax.FastRelax: CMD: min -29.6896 8.5026 10.5933 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6896 8.5026 10.5933 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.4179 8.5026 10.5933 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.4183 8.5026 10.5933 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.189 8.5026 10.5933 0.154 protocols.relax.FastRelax: CMD: min -26.2108 8.50589 10.5965 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.2108 8.50589 10.5965 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9433 8.50589 10.5965 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.9433 8.50589 10.5965 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6068 8.50589 10.5965 0.31955 protocols.relax.FastRelax: CMD: min -21.6347 8.50504 10.6066 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.6347 8.50504 10.6066 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.2701 8.50504 10.6066 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2701 8.50504 10.6066 0.55 protocols.relax.FastRelax: CMD: min -17.0199 8.48994 10.643 0.55 protocols.relax.FastRelax: MRP: 2 -17.0199 -17.0199 8.48994 10.643 protocols.relax.FastRelax: CMD: accept_to_best -17.0199 8.48994 10.643 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0199 8.48994 10.643 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.0199 8.48994 10.643 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8686 8.48994 10.643 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.6526 8.48994 10.643 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.4891 8.48994 10.643 0.02805 protocols.relax.FastRelax: CMD: min -29.6595 8.4963 10.6084 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6595 8.4963 10.6084 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.4039 8.4963 10.6084 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.4043 8.4963 10.6084 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1761 8.4963 10.6084 0.154 protocols.relax.FastRelax: CMD: min -26.1983 8.49942 10.6119 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.1983 8.49942 10.6119 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.953 8.49942 10.6119 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.953 8.49942 10.6119 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6183 8.49942 10.6119 0.31955 protocols.relax.FastRelax: CMD: min -21.6453 8.4986 10.6219 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.6453 8.4986 10.6219 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.3124 8.4986 10.6219 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.3124 8.4986 10.6219 0.55 protocols.relax.FastRelax: CMD: min -17.0205 8.48915 10.6458 0.55 protocols.relax.FastRelax: MRP: 3 -17.0205 -17.0205 8.48915 10.6458 protocols.relax.FastRelax: CMD: accept_to_best -17.0205 8.48915 10.6458 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0205 8.48915 10.6458 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.0205 8.48915 10.6458 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8512 8.48915 10.6458 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.6318 8.48915 10.6458 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -29.4687 8.48915 10.6458 0.02805 protocols.relax.FastRelax: CMD: min -29.6384 8.49557 10.6112 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6384 8.49557 10.6112 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.3896 8.49557 10.6112 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.39 8.49557 10.6112 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1623 8.49557 10.6112 0.154 protocols.relax.FastRelax: CMD: min -26.1844 8.49863 10.615 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.1844 8.49863 10.615 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9488 8.49863 10.615 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.9488 8.49863 10.615 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6149 8.49863 10.615 0.31955 protocols.relax.FastRelax: CMD: min -21.6419 8.49779 10.625 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.6419 8.49779 10.625 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.3232 8.49779 10.625 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.3232 8.49779 10.625 0.55 protocols.relax.FastRelax: CMD: min -17.0204 8.48819 10.6471 0.55 protocols.relax.FastRelax: MRP: 4 -17.0204 -17.0205 8.48915 10.6458 protocols.relax.FastRelax: CMD: accept_to_best -17.0204 8.48819 10.6471 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.0204 8.48819 10.6471 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_23.pdb protocols.relax.FastRelax: CMD: repeat 13796.3 7.40014 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13796.3 7.40014 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2008.83 7.40014 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 55.666 7.40014 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 62.6949 7.40014 0 0.02805 protocols.relax.FastRelax: CMD: min -36.4052 9.73507 3.87212 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.4052 9.73507 3.87212 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -2.93519 9.73507 3.87212 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.85266 9.73507 3.87212 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -7.58454 9.73507 3.87212 0.154 protocols.relax.FastRelax: CMD: min -30.975 9.55473 3.65631 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.975 9.55473 3.65631 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.7507 9.55473 3.65631 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.1158 9.55473 3.65631 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -19.2513 9.55473 3.65631 0.31955 protocols.relax.FastRelax: CMD: min -19.6084 9.54947 3.6487 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -19.6084 9.54947 3.6487 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.87911 9.54947 3.6487 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.94854 9.54947 3.6487 0.55 protocols.relax.FastRelax: CMD: min -25.7066 9.22724 3.21258 0.55 protocols.relax.FastRelax: MRP: 0 -25.7066 -25.7066 9.22724 3.21258 protocols.relax.FastRelax: CMD: accept_to_best -25.7066 9.22724 3.21258 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.7066 9.22724 3.21258 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -25.7066 9.22724 3.21258 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1075 9.22724 3.21258 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.6575 9.22724 3.21258 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3128 9.22724 3.21258 0.02805 protocols.relax.FastRelax: CMD: min -52.409 9.38959 3.43159 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.409 9.38959 3.43159 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.1355 9.38959 3.43159 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5357 9.38959 3.43159 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -16.2473 9.38959 3.43159 0.154 protocols.relax.FastRelax: CMD: min -42.6851 9.37623 3.48707 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.6851 9.37623 3.48707 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4454 9.37623 3.48707 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.3892 9.37623 3.48707 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5998 9.37623 3.48707 0.31955 protocols.relax.FastRelax: CMD: min -32.3277 9.37007 3.47982 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -32.3277 9.37007 3.47982 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.4996 9.37007 3.47982 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.5718 9.37007 3.47982 0.55 protocols.relax.FastRelax: CMD: min -26.5504 9.19482 3.22371 0.55 protocols.relax.FastRelax: MRP: 1 -26.5504 -26.5504 9.19482 3.22371 protocols.relax.FastRelax: CMD: accept_to_best -26.5504 9.19482 3.22371 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.5504 9.19482 3.22371 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.5504 9.19482 3.22371 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2059 9.19482 3.22371 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.6667 9.19482 3.22371 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3191 9.19482 3.22371 0.02805 protocols.relax.FastRelax: CMD: min -56.0879 9.43447 3.60773 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -56.0879 9.43447 3.60773 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.1431 9.43447 3.60773 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.6293 9.43447 3.60773 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5479 9.43447 3.60773 0.154 protocols.relax.FastRelax: CMD: min -42.3168 9.36318 3.4706 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.3168 9.36318 3.4706 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.968 9.36318 3.4706 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.9775 9.36318 3.4706 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.0848 9.36318 3.4706 0.31955 protocols.relax.FastRelax: CMD: min -34.1866 9.30947 3.41853 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.1866 9.30947 3.41853 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.0858 9.30947 3.41853 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.0888 9.30947 3.41853 0.55 protocols.relax.FastRelax: CMD: min -26.544 9.19044 3.21871 0.55 protocols.relax.FastRelax: MRP: 2 -26.544 -26.5504 9.19482 3.22371 protocols.relax.FastRelax: CMD: accept_to_best -26.544 9.19044 3.21871 0.55 protocols.relax.FastRelax: CMD: endrepeat -26.544 9.19044 3.21871 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -26.544 9.19044 3.21871 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2136 9.19044 3.21871 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.6833 9.19044 3.21871 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3377 9.19044 3.21871 0.02805 protocols.relax.FastRelax: CMD: min -53.9893 9.38684 3.53494 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.9893 9.38684 3.53494 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.9751 9.38684 3.53494 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.9283 9.38684 3.53494 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -17.5916 9.38684 3.53494 0.154 protocols.relax.FastRelax: CMD: min -42.5488 9.36009 3.52101 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.5488 9.36009 3.52101 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -32.5633 9.36009 3.52101 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.0414 9.36009 3.52101 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.2342 9.36009 3.52101 0.31955 protocols.relax.FastRelax: CMD: min -33.8441 9.31884 3.46923 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.8441 9.31884 3.46923 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4161 9.31884 3.46923 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.4184 9.31884 3.46923 0.55 protocols.relax.FastRelax: CMD: min -27.5438 9.29246 3.31157 0.55 protocols.relax.FastRelax: MRP: 3 -27.5438 -27.5438 9.29246 3.31157 protocols.relax.FastRelax: CMD: accept_to_best -27.5438 9.29246 3.31157 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.5438 9.29246 3.31157 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -27.5438 9.29246 3.31157 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7748 9.29246 3.31157 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.8801 9.29246 3.31157 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.5948 9.29246 3.31157 0.02805 protocols.relax.FastRelax: CMD: min -55.0818 9.56681 3.80387 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.0818 9.56681 3.80387 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -19.8321 9.56681 3.80387 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.1642 9.56681 3.80387 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0961 9.56681 3.80387 0.154 protocols.relax.FastRelax: CMD: min -43.4196 9.5133 3.8082 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4196 9.5133 3.8082 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.4028 9.5133 3.8082 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.6969 9.5133 3.8082 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8791 9.5133 3.8082 0.31955 protocols.relax.FastRelax: CMD: min -34.7098 9.48514 3.73775 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.7098 9.48514 3.73775 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.8437 9.48514 3.73775 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.8716 9.48514 3.73775 0.55 protocols.relax.FastRelax: CMD: min -30.2615 9.19495 3.18162 0.55 protocols.relax.FastRelax: MRP: 4 -30.2615 -30.2615 9.19495 3.18162 protocols.relax.FastRelax: CMD: accept_to_best -30.2615 9.19495 3.18162 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.2615 9.19495 3.18162 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_12.pdb protocols.relax.FastRelax: CMD: repeat 12032.9 10.1238 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12032.9 10.1238 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1898.7 10.1238 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 385 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 53.378 10.1238 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 55.8281 10.1238 0 0.02805 protocols.relax.FastRelax: CMD: min 55.7296 10.1203 0.0102227 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 55.7296 10.1203 0.0102227 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 103.071 10.1203 0.0102227 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 363 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 88.7682 10.1203 0.0102227 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 90.9568 10.1203 0.0102227 0.154 protocols.relax.FastRelax: CMD: min 20.5672 11.0578 2.96465 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 20.5672 11.0578 2.96465 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 61.3061 11.0578 2.96465 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.97762 11.0578 2.96465 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -6.41249 11.0578 2.96465 0.31955 protocols.relax.FastRelax: CMD: min -15.0556 10.7921 2.9862 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -15.0556 10.7921 2.9862 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -7.42156 10.7921 2.9862 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.59655 10.7921 2.9862 0.55 protocols.relax.FastRelax: CMD: min -17.7245 10.7934 3.75538 0.55 protocols.relax.FastRelax: MRP: 0 -17.7245 -17.7245 10.7934 3.75538 protocols.relax.FastRelax: CMD: accept_to_best -17.7245 10.7934 3.75538 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.7245 10.7934 3.75538 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.7245 10.7934 3.75538 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.3302 10.7934 3.75538 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.6119 10.7934 3.75538 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3395 10.7934 3.75538 0.02805 protocols.relax.FastRelax: CMD: min -43.4228 10.9658 4.01976 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4228 10.9658 4.01976 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -12.7883 10.9658 4.01976 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.3113 10.9658 4.01976 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.2775 10.9658 4.01976 0.154 protocols.relax.FastRelax: CMD: min -28.1167 11.2151 4.01698 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.1167 11.2151 4.01698 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.8486 11.2151 4.01698 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.849 11.2151 4.01698 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2759 11.2151 4.01698 0.31955 protocols.relax.FastRelax: CMD: min -21.9254 11.2253 3.95799 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.9254 11.2253 3.95799 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.1337 11.2253 3.95799 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.1338 11.2253 3.95799 0.55 protocols.relax.FastRelax: CMD: min -19.1297 12.2965 5.05262 0.55 protocols.relax.FastRelax: MRP: 1 -19.1297 -19.1297 12.2965 5.05262 protocols.relax.FastRelax: CMD: accept_to_best -19.1297 12.2965 5.05262 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.1297 12.2965 5.05262 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1297 12.2965 5.05262 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.0674 12.2965 5.05262 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.0595 12.2965 5.05262 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8522 12.2965 5.05262 0.02805 protocols.relax.FastRelax: CMD: min -42.0557 12.5308 5.79149 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.0557 12.5308 5.79149 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.4721 12.5308 5.79149 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.7 12.5308 5.79149 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5892 12.5308 5.79149 0.154 protocols.relax.FastRelax: CMD: min -31.8284 12.4846 5.56263 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.8284 12.4846 5.56263 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2794 12.4846 5.56263 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.2824 12.4846 5.56263 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.6877 12.4846 5.56263 0.31955 protocols.relax.FastRelax: CMD: min -24.0177 12.4871 5.55999 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.0177 12.4871 5.55999 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.3077 12.4871 5.55999 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.3645 12.4871 5.55999 0.55 protocols.relax.FastRelax: CMD: min -24.1406 12.2213 5.90727 0.55 protocols.relax.FastRelax: MRP: 2 -24.1406 -24.1406 12.2213 5.90727 protocols.relax.FastRelax: CMD: accept_to_best -24.1406 12.2213 5.90727 0.55 protocols.relax.FastRelax: CMD: endrepeat -24.1406 12.2213 5.90727 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -24.1406 12.2213 5.90727 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -37.3489 12.2213 5.90727 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.787 12.2213 5.90727 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.6033 12.2213 5.90727 0.02805 protocols.relax.FastRelax: CMD: min -44.5437 12.2538 6.1212 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -44.5437 12.2538 6.1212 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -12.2031 12.2538 6.1212 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.2564 12.2538 6.1212 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.188 12.2538 6.1212 0.154 protocols.relax.FastRelax: CMD: min -37.0951 12.2457 6.05008 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -37.0951 12.2457 6.05008 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -29.3009 12.2457 6.05008 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.314 12.2457 6.05008 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6984 12.2457 6.05008 0.31955 protocols.relax.FastRelax: CMD: min -31.8167 12.2363 6.05773 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.8167 12.2363 6.05773 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4571 12.2363 6.05773 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.4592 12.2363 6.05773 0.55 protocols.relax.FastRelax: CMD: min -28.8847 11.721 5.34636 0.55 protocols.relax.FastRelax: MRP: 3 -28.8847 -28.8847 11.721 5.34636 protocols.relax.FastRelax: CMD: accept_to_best -28.8847 11.721 5.34636 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.8847 11.721 5.34636 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.8847 11.721 5.34636 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7764 11.721 5.34636 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.1062 11.721 5.34636 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8953 11.721 5.34636 0.02805 protocols.relax.FastRelax: CMD: min -53.2052 11.6923 5.56181 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.2052 11.6923 5.56181 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.0391 11.6923 5.56181 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.9823 11.6923 5.56181 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4713 11.6923 5.56181 0.154 protocols.relax.FastRelax: CMD: min -41.8322 11.7272 5.49865 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -41.8322 11.7272 5.49865 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0173 11.7272 5.49865 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.0142 11.7272 5.49865 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -32.3224 11.7272 5.49865 0.31955 protocols.relax.FastRelax: CMD: min -34.6721 11.7311 5.45816 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.6721 11.7311 5.45816 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0193 11.7311 5.45816 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.023 11.7311 5.45816 0.55 protocols.relax.FastRelax: CMD: min -30.8589 11.7316 5.32206 0.55 protocols.relax.FastRelax: MRP: 4 -30.8589 -30.8589 11.7316 5.32206 protocols.relax.FastRelax: CMD: accept_to_best -30.8589 11.7316 5.32206 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.8589 11.7316 5.32206 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_18.pdb protocols.relax.FastRelax: CMD: repeat 8865.65 11.805 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8865.65 11.805 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1739.75 11.805 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 382 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 69.1555 11.805 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 75.6972 11.805 0 0.02805 protocols.relax.FastRelax: CMD: min -32.2748 12.242 4.77015 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.2748 12.242 4.77015 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -9.31405 12.242 4.77015 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.9155 12.242 4.77015 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -11.9636 12.242 4.77015 0.154 protocols.relax.FastRelax: CMD: min -18.4696 11.8011 4.34815 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.4696 11.8011 4.34815 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -10.592 11.8011 4.34815 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.6797 11.8011 4.34815 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.0607 11.8011 4.34815 0.31955 protocols.relax.FastRelax: CMD: min -27.2297 12.3877 4.98966 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.2297 12.3877 4.98966 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.4446 12.3877 4.98966 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.5916 12.3877 4.98966 0.55 protocols.relax.FastRelax: CMD: min -27.8596 11.8431 5.45192 0.55 protocols.relax.FastRelax: MRP: 0 -27.8596 -27.8596 11.8431 5.45192 protocols.relax.FastRelax: CMD: accept_to_best -27.8596 11.8431 5.45192 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.8596 11.8431 5.45192 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -27.8596 11.8431 5.45192 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.0467 11.8431 5.45192 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.371 11.8431 5.45192 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1838 11.8431 5.45192 0.02805 protocols.relax.FastRelax: CMD: min -43.5577 11.8629 5.45825 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.5577 11.8629 5.45825 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.7516 11.8629 5.45825 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.7517 11.8629 5.45825 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.4849 11.8629 5.45825 0.154 protocols.relax.FastRelax: CMD: min -39.5206 11.8663 5.45746 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.5206 11.8663 5.45746 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.537 11.8663 5.45746 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 407 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.538 11.8663 5.45746 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.1706 11.8663 5.45746 0.31955 protocols.relax.FastRelax: CMD: min -34.1805 11.8678 5.45693 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.1805 11.8678 5.45693 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.1808 11.8678 5.45693 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.1816 11.8678 5.45693 0.55 protocols.relax.FastRelax: CMD: min -29.7641 12.0767 5.36983 0.55 protocols.relax.FastRelax: MRP: 1 -29.7641 -29.7641 12.0767 5.36983 protocols.relax.FastRelax: CMD: accept_to_best -29.7641 12.0767 5.36983 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.7641 12.0767 5.36983 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.7641 12.0767 5.36983 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -43.8332 12.0767 5.36983 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.534 12.0767 5.36983 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3339 12.0767 5.36983 0.02805 protocols.relax.FastRelax: CMD: min -53.0724 12.1267 5.38777 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.0724 12.1267 5.38777 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.6739 12.1267 5.38777 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.8851 12.1267 5.38777 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7506 12.1267 5.38777 0.154 protocols.relax.FastRelax: CMD: min -43.939 12.2167 5.30087 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.939 12.2167 5.30087 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.921 12.2167 5.30087 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.9482 12.2167 5.30087 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3198 12.2167 5.30087 0.31955 protocols.relax.FastRelax: CMD: min -35.5699 12.2069 5.29601 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5699 12.2069 5.29601 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.9764 12.2069 5.29601 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.9804 12.2069 5.29601 0.55 protocols.relax.FastRelax: CMD: min -31.7472 12.2622 5.29156 0.55 protocols.relax.FastRelax: MRP: 2 -31.7472 -31.7472 12.2622 5.29156 protocols.relax.FastRelax: CMD: accept_to_best -31.7472 12.2622 5.29156 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.7472 12.2622 5.29156 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -31.7472 12.2622 5.29156 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.563 12.2622 5.29156 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.8907 12.2622 5.29156 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7172 12.2622 5.29156 0.02805 protocols.relax.FastRelax: CMD: min -46.135 12.2724 5.31174 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -46.135 12.2724 5.31174 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6328 12.2724 5.31174 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.6329 12.2724 5.31174 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.3874 12.2724 5.31174 0.154 protocols.relax.FastRelax: CMD: min -42.4308 12.2762 5.31493 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.4308 12.2762 5.31493 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8263 12.2762 5.31493 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.8263 12.2762 5.31493 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.4632 12.2762 5.31493 0.31955 protocols.relax.FastRelax: CMD: min -37.4685 12.2747 5.31425 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.4685 12.2747 5.31425 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5637 12.2747 5.31425 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.567 12.2747 5.31425 0.55 protocols.relax.FastRelax: CMD: min -31.747 12.2662 5.29067 0.55 protocols.relax.FastRelax: MRP: 3 -31.747 -31.7472 12.2622 5.29156 protocols.relax.FastRelax: CMD: accept_to_best -31.747 12.2662 5.29067 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.747 12.2662 5.29067 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -31.747 12.2662 5.29067 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5618 12.2662 5.29067 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.8931 12.2662 5.29067 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7195 12.2662 5.29067 0.02805 protocols.relax.FastRelax: CMD: min -46.1383 12.2762 5.3111 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -46.1383 12.2762 5.3111 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6345 12.2762 5.3111 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.6346 12.2762 5.3111 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.389 12.2762 5.3111 0.154 protocols.relax.FastRelax: CMD: min -42.4323 12.28 5.31429 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -42.4323 12.28 5.31429 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8256 12.28 5.31429 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.8256 12.28 5.31429 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.4624 12.28 5.31429 0.31955 protocols.relax.FastRelax: CMD: min -37.4679 12.2785 5.31359 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -37.4679 12.2785 5.31359 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5602 12.2785 5.31359 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.5635 12.2785 5.31359 0.55 protocols.relax.FastRelax: CMD: min -31.7472 12.2666 5.28949 0.55 protocols.relax.FastRelax: MRP: 4 -31.7472 -31.7472 12.2666 5.28949 protocols.relax.FastRelax: CMD: accept_to_best -31.7472 12.2666 5.28949 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.7472 12.2666 5.28949 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_35.pdb protocols.relax.FastRelax: CMD: repeat 11292.9 7.22711 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11292.9 7.22711 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1860.65 7.22711 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 49.8809 7.22711 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 51.7331 7.22711 0 0.02805 protocols.relax.FastRelax: CMD: min 91.4718 10.7887 9.66808 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 91.4718 10.7887 9.66808 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 478.515 10.7887 9.66808 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 279.631 10.7887 9.66808 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 295.793 10.7887 9.66808 0.154 protocols.relax.FastRelax: CMD: min -31.137 9.88343 7.83436 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -31.137 9.88343 7.83436 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.649 9.88343 7.83436 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.9851 9.88343 7.83436 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2923 9.88343 7.83436 0.31955 protocols.relax.FastRelax: CMD: min -33.9363 10.657 9.01686 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.9363 10.657 9.01686 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.906 10.657 9.01686 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.1162 10.657 9.01686 0.55 protocols.relax.FastRelax: CMD: min -34.5711 11.2647 9.90614 0.55 protocols.relax.FastRelax: MRP: 0 -34.5711 -34.5711 11.2647 9.90614 protocols.relax.FastRelax: CMD: accept_to_best -34.5711 11.2647 9.90614 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.5711 11.2647 9.90614 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -34.5711 11.2647 9.90614 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4965 11.2647 9.90614 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.7218 11.2647 9.90614 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.5556 11.2647 9.90614 0.02805 protocols.relax.FastRelax: CMD: min -53.5954 11.2934 9.98334 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.5954 11.2934 9.98334 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.0943 11.2934 9.98334 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.6493 11.2934 9.98334 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -41.908 11.2934 9.98334 0.154 protocols.relax.FastRelax: CMD: min -46.7123 11.2409 9.89887 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.7123 11.2409 9.89887 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1388 11.2409 9.89887 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.5376 11.2409 9.89887 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0217 11.2409 9.89887 0.31955 protocols.relax.FastRelax: CMD: min -40.3393 11.2275 9.8814 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.3393 11.2275 9.8814 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.9883 11.2275 9.8814 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.0169 11.2275 9.8814 0.55 protocols.relax.FastRelax: CMD: min -35.5782 11.2522 9.8868 0.55 protocols.relax.FastRelax: MRP: 1 -35.5782 -35.5782 11.2522 9.8868 protocols.relax.FastRelax: CMD: accept_to_best -35.5782 11.2522 9.8868 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5782 11.2522 9.8868 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5782 11.2522 9.8868 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7011 11.2522 9.8868 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.9584 11.2522 9.8868 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7897 11.2522 9.8868 0.02805 protocols.relax.FastRelax: CMD: min -54.4138 11.2854 9.9684 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.4138 11.2854 9.9684 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8459 11.2854 9.9684 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.5136 11.2854 9.9684 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7704 11.2854 9.9684 0.154 protocols.relax.FastRelax: CMD: min -47.599 11.2301 9.88779 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.599 11.2301 9.88779 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.9472 11.2301 9.88779 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.3624 11.2301 9.88779 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.8391 11.2301 9.88779 0.31955 protocols.relax.FastRelax: CMD: min -41.1438 11.2239 9.88135 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1438 11.2239 9.88135 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6787 11.2239 9.88135 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.6847 11.2239 9.88135 0.55 protocols.relax.FastRelax: CMD: min -35.5778 11.2528 9.88688 0.55 protocols.relax.FastRelax: MRP: 2 -35.5778 -35.5782 11.2522 9.8868 protocols.relax.FastRelax: CMD: accept_to_best -35.5778 11.2528 9.88688 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5778 11.2528 9.88688 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5778 11.2528 9.88688 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6998 11.2528 9.88688 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.9492 11.2528 9.88688 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7806 11.2528 9.88688 0.02805 protocols.relax.FastRelax: CMD: min -54.402 11.2844 9.96623 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.402 11.2844 9.96623 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7781 11.2844 9.96623 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.4399 11.2844 9.96623 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6914 11.2844 9.96623 0.154 protocols.relax.FastRelax: CMD: min -47.6001 11.2292 9.88566 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.6001 11.2292 9.88566 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.9487 11.2292 9.88566 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.3634 11.2292 9.88566 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.84 11.2292 9.88566 0.31955 protocols.relax.FastRelax: CMD: min -41.1448 11.2233 9.8797 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1448 11.2233 9.8797 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.677 11.2233 9.8797 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.6828 11.2233 9.8797 0.55 protocols.relax.FastRelax: CMD: min -35.5809 11.2552 9.89006 0.55 protocols.relax.FastRelax: MRP: 3 -35.5809 -35.5809 11.2552 9.89006 protocols.relax.FastRelax: CMD: accept_to_best -35.5809 11.2552 9.89006 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5809 11.2552 9.89006 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5809 11.2552 9.89006 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6847 11.2552 9.89006 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.9316 11.2552 9.89006 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.7633 11.2552 9.89006 0.02805 protocols.relax.FastRelax: CMD: min -54.377 11.2869 9.96806 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.377 11.2869 9.96806 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.0446 11.2869 9.96806 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6993 11.2869 9.96806 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.9713 11.2869 9.96806 0.154 protocols.relax.FastRelax: CMD: min -47.5814 11.2389 9.89599 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.5814 11.2389 9.89599 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -40.9407 11.2389 9.89599 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.3626 11.2389 9.89599 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.8402 11.2389 9.89599 0.31955 protocols.relax.FastRelax: CMD: min -41.1569 11.2293 9.8855 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1569 11.2293 9.8855 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7185 11.2293 9.8855 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.7241 11.2293 9.8855 0.55 protocols.relax.FastRelax: CMD: min -35.5786 11.2571 9.89271 0.55 protocols.relax.FastRelax: MRP: 4 -35.5786 -35.5809 11.2552 9.89006 protocols.relax.FastRelax: CMD: accept_to_best -35.5786 11.2571 9.89271 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5786 11.2571 9.89271 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_6.pdb protocols.relax.FastRelax: CMD: repeat 13654.2 9.52191 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13654.2 9.52191 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1990.7 9.52191 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 42.1908 9.52191 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 47.811 9.52191 0 0.02805 protocols.relax.FastRelax: CMD: min -19.6962 10.6386 3.08435 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -19.6962 10.6386 3.08435 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 1.03395 10.6386 3.08435 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.79146 10.6386 3.08435 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.55864 10.6386 3.08435 0.154 protocols.relax.FastRelax: CMD: min -25.3175 11.2883 4.60898 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -25.3175 11.2883 4.60898 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -16.8421 11.2883 4.60898 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.1364 11.2883 4.60898 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -16.4688 11.2883 4.60898 0.31955 protocols.relax.FastRelax: CMD: min -18.8094 11.3624 4.58079 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.8094 11.3624 4.58079 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.7492 11.3624 4.58079 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.75095 11.3624 4.58079 0.55 protocols.relax.FastRelax: CMD: min -14.9818 11.2799 4.47919 0.55 protocols.relax.FastRelax: MRP: 0 -14.9818 -14.9818 11.2799 4.47919 protocols.relax.FastRelax: CMD: accept_to_best -14.9818 11.2799 4.47919 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.9818 11.2799 4.47919 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.9818 11.2799 4.47919 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -29.7744 11.2799 4.47919 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.5522 11.2799 4.47919 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0616 11.2799 4.47919 0.02805 protocols.relax.FastRelax: CMD: min -33.0938 11.28 4.4797 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.0938 11.28 4.4797 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.6408 11.28 4.4797 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.2019 11.28 4.4797 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7883 11.28 4.4797 0.154 protocols.relax.FastRelax: CMD: min -26.8284 11.2811 4.48113 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -26.8284 11.2811 4.48113 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.1861 11.2811 4.48113 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.1862 11.2811 4.48113 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5835 11.2811 4.48113 0.31955 protocols.relax.FastRelax: CMD: min -24.2395 11.3161 4.63597 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.2395 11.3161 4.63597 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.9392 11.3161 4.63597 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.941 11.3161 4.63597 0.55 protocols.relax.FastRelax: CMD: min -18.89 11.3255 4.69514 0.55 protocols.relax.FastRelax: MRP: 1 -18.89 -18.89 11.3255 4.69514 protocols.relax.FastRelax: CMD: accept_to_best -18.89 11.3255 4.69514 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.89 11.3255 4.69514 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.89 11.3255 4.69514 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.3506 11.3255 4.69514 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.4838 11.3255 4.69514 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.027 11.3255 4.69514 0.02805 protocols.relax.FastRelax: CMD: min -34.0593 11.3254 4.69535 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.0593 11.3254 4.69535 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2647 11.3254 4.69535 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8614 11.3254 4.69535 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4956 11.3254 4.69535 0.154 protocols.relax.FastRelax: CMD: min -28.5271 11.3261 4.69594 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5271 11.3261 4.69594 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7652 11.3261 4.69594 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7652 11.3261 4.69594 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.232 11.3261 4.69594 0.31955 protocols.relax.FastRelax: CMD: min -25.1446 11.334 4.77963 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.1446 11.334 4.77963 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -17.0703 11.334 4.77963 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.0723 11.334 4.77963 0.55 protocols.relax.FastRelax: CMD: min -18.8911 11.3233 4.68767 0.55 protocols.relax.FastRelax: MRP: 2 -18.8911 -18.8911 11.3233 4.68767 protocols.relax.FastRelax: CMD: accept_to_best -18.8911 11.3233 4.68767 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.8911 11.3233 4.68767 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.8911 11.3233 4.68767 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.3416 11.3233 4.68767 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.4709 11.3233 4.68767 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0119 11.3233 4.68767 0.02805 protocols.relax.FastRelax: CMD: min -34.0445 11.3232 4.68791 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.0445 11.3232 4.68791 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2102 11.3232 4.68791 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.864 11.3232 4.68791 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4983 11.3232 4.68791 0.154 protocols.relax.FastRelax: CMD: min -28.5283 11.3239 4.6885 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5283 11.3239 4.6885 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7654 11.3239 4.6885 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7654 11.3239 4.6885 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.2322 11.3239 4.6885 0.31955 protocols.relax.FastRelax: CMD: min -25.1551 11.3332 4.77302 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.1551 11.3332 4.77302 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -17.0963 11.3332 4.77302 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.0983 11.3332 4.77302 0.55 protocols.relax.FastRelax: CMD: min -18.8915 11.3228 4.68764 0.55 protocols.relax.FastRelax: MRP: 3 -18.8915 -18.8915 11.3228 4.68764 protocols.relax.FastRelax: CMD: accept_to_best -18.8915 11.3228 4.68764 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.8915 11.3228 4.68764 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.8915 11.3228 4.68764 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -33.343 11.3228 4.68764 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.4734 11.3228 4.68764 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0145 11.3228 4.68764 0.02805 protocols.relax.FastRelax: CMD: min -34.0471 11.3227 4.68788 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.0471 11.3227 4.68788 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2131 11.3227 4.68788 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.8664 11.3227 4.68788 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5008 11.3227 4.68788 0.154 protocols.relax.FastRelax: CMD: min -28.5309 11.3235 4.68847 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.5309 11.3235 4.68847 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7683 11.3235 4.68847 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7684 11.3235 4.68847 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.2351 11.3235 4.68847 0.31955 protocols.relax.FastRelax: CMD: min -25.1534 11.3311 4.77064 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.1534 11.3311 4.77064 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -17.0889 11.3311 4.77064 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.0909 11.3311 4.77064 0.55 protocols.relax.FastRelax: CMD: min -18.8922 11.3273 4.69544 0.55 protocols.relax.FastRelax: MRP: 4 -18.8922 -18.8922 11.3273 4.69544 protocols.relax.FastRelax: CMD: accept_to_best -18.8922 11.3273 4.69544 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.8922 11.3273 4.69544 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_5.pdb protocols.relax.FastRelax: CMD: repeat 13751.6 7.07801 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13751.6 7.07801 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1979.57 7.07801 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 62.6505 7.07801 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 70.5751 7.07801 0 0.02805 protocols.relax.FastRelax: CMD: min -24.8452 7.45452 2.85392 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -24.8452 7.45452 2.85392 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -3.30414 7.45452 2.85392 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.68467 7.45452 2.85392 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -6.32096 7.45452 2.85392 0.154 protocols.relax.FastRelax: CMD: min -21.4566 7.37503 2.01737 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -21.4566 7.37503 2.01737 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8594 7.37503 2.01737 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.9322 7.37503 2.01737 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.3366 7.37503 2.01737 0.31955 protocols.relax.FastRelax: CMD: min -13.398 7.37555 2.01689 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.398 7.37555 2.01689 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -2.13305 7.37555 2.01689 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.37443 7.37555 2.01689 0.55 protocols.relax.FastRelax: CMD: min -14.4367 7.84717 3.40636 0.55 protocols.relax.FastRelax: MRP: 0 -14.4367 -14.4367 7.84717 3.40636 protocols.relax.FastRelax: CMD: accept_to_best -14.4367 7.84717 3.40636 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.4367 7.84717 3.40636 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.4367 7.84717 3.40636 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2049 7.84717 3.40636 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.9151 7.84717 3.40636 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6918 7.84717 3.40636 0.02805 protocols.relax.FastRelax: CMD: min -31.7591 7.84855 3.41145 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -31.7591 7.84855 3.41145 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.3928 7.84855 3.41145 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.3928 7.84855 3.41145 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.0868 7.84855 3.41145 0.154 protocols.relax.FastRelax: CMD: min -27.1185 7.84939 3.41552 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.1185 7.84939 3.41552 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4123 7.84939 3.41552 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.6343 7.84939 3.41552 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.2124 7.84939 3.41552 0.31955 protocols.relax.FastRelax: CMD: min -21.239 7.84835 3.41785 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.239 7.84835 3.41785 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.2115 7.84835 3.41785 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.5989 7.84835 3.41785 0.55 protocols.relax.FastRelax: CMD: min -17.6301 7.76262 3.37748 0.55 protocols.relax.FastRelax: MRP: 1 -17.6301 -17.6301 7.76262 3.37748 protocols.relax.FastRelax: CMD: accept_to_best -17.6301 7.76262 3.37748 0.55 protocols.relax.FastRelax: CMD: endrepeat -17.6301 7.76262 3.37748 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -17.6301 7.76262 3.37748 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4182 7.76262 3.37748 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.5867 7.76262 3.37748 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.3637 7.76262 3.37748 0.02805 protocols.relax.FastRelax: CMD: min -33.4535 7.76532 3.38491 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.4535 7.76532 3.38491 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.087 7.76532 3.38491 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.1904 7.76532 3.38491 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8955 7.76532 3.38491 0.154 protocols.relax.FastRelax: CMD: min -28.9332 7.76713 3.39023 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.9332 7.76713 3.39023 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4315 7.76713 3.39023 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.4315 7.76713 3.39023 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.9977 7.76713 3.39023 0.31955 protocols.relax.FastRelax: CMD: min -23.0241 7.76759 3.39305 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.0241 7.76759 3.39305 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -14.7756 7.76759 3.39305 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2205 7.76759 3.39305 0.55 protocols.relax.FastRelax: CMD: min -18.5641 7.65237 3.27347 0.55 protocols.relax.FastRelax: MRP: 2 -18.5641 -18.5641 7.65237 3.27347 protocols.relax.FastRelax: CMD: accept_to_best -18.5641 7.65237 3.27347 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.5641 7.65237 3.27347 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5641 7.65237 3.27347 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.3596 7.65237 3.27347 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.4402 7.65237 3.27347 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2177 7.65237 3.27347 0.02805 protocols.relax.FastRelax: CMD: min -34.3036 7.6552 3.2807 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.3036 7.6552 3.2807 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.9466 7.6552 3.2807 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.9977 7.6552 3.2807 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -29.7035 7.6552 3.2807 0.154 protocols.relax.FastRelax: CMD: min -29.74 7.65724 3.28607 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.74 7.65724 3.28607 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2535 7.65724 3.28607 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.2535 7.65724 3.28607 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.8208 7.65724 3.28607 0.31955 protocols.relax.FastRelax: CMD: min -23.8581 7.65806 3.28924 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.8581 7.65806 3.28924 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.6446 7.65806 3.28924 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.051 7.65806 3.28924 0.55 protocols.relax.FastRelax: CMD: min -18.5641 7.65401 3.27553 0.55 protocols.relax.FastRelax: MRP: 3 -18.5641 -18.5641 7.65401 3.27553 protocols.relax.FastRelax: CMD: accept_to_best -18.5641 7.65401 3.27553 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.5641 7.65401 3.27553 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5641 7.65401 3.27553 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.3514 7.65401 3.27553 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.4335 7.65401 3.27553 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2115 7.65401 3.27553 0.02805 protocols.relax.FastRelax: CMD: min -34.2978 7.65683 3.28276 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.2978 7.65683 3.28276 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.9499 7.65683 3.28276 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.9999 7.65683 3.28276 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -29.7063 7.65683 3.28276 0.154 protocols.relax.FastRelax: CMD: min -29.7429 7.65888 3.28814 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.7429 7.65888 3.28814 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2673 7.65888 3.28814 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.2673 7.65888 3.28814 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.8356 7.65888 3.28814 0.31955 protocols.relax.FastRelax: CMD: min -23.8707 7.65973 3.29133 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -23.8707 7.65973 3.29133 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.6713 7.65973 3.29133 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.0731 7.65973 3.29133 0.55 protocols.relax.FastRelax: CMD: min -18.5641 7.65667 3.27978 0.55 protocols.relax.FastRelax: MRP: 4 -18.5641 -18.5641 7.65667 3.27978 protocols.relax.FastRelax: CMD: accept_to_best -18.5641 7.65667 3.27978 0.55 protocols.relax.FastRelax: CMD: endrepeat -18.5641 7.65667 3.27978 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_3.pdb protocols.relax.FastRelax: CMD: repeat 13588.5 10.8711 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13588.5 10.8711 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1881.55 10.8711 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 346 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 55.7636 10.8711 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 60.8697 10.8711 0 0.02805 protocols.relax.FastRelax: CMD: min -7.33943 10.3945 1.67335 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -7.33943 10.3945 1.67335 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 61.6303 10.3945 1.67335 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 357 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 31.9646 10.3945 1.67335 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 34.3909 10.3945 1.67335 0.154 protocols.relax.FastRelax: CMD: min -20.6693 10.4594 2.61224 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.6693 10.4594 2.61224 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -8.73619 10.4594 2.61224 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.73959 10.4594 2.61224 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -6.60075 10.4594 2.61224 0.31955 protocols.relax.FastRelax: CMD: min -19.4138 10.5948 2.20127 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -19.4138 10.5948 2.20127 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.4778 10.5948 2.20127 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.56034 10.5948 2.20127 0.55 protocols.relax.FastRelax: CMD: min -11.9043 10.6933 2.16759 0.55 protocols.relax.FastRelax: MRP: 0 -11.9043 -11.9043 10.6933 2.16759 protocols.relax.FastRelax: CMD: accept_to_best -11.9043 10.6933 2.16759 0.55 protocols.relax.FastRelax: CMD: endrepeat -11.9043 10.6933 2.16759 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -11.9043 10.6933 2.16759 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5365 10.6933 2.16759 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.0974 10.6933 2.16759 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5675 10.6933 2.16759 0.02805 protocols.relax.FastRelax: CMD: min -33.7031 10.694 2.17205 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -33.7031 10.694 2.17205 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7118 10.694 2.17205 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.2641 10.694 2.17205 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.9259 10.694 2.17205 0.154 protocols.relax.FastRelax: CMD: min -27.4981 10.703 2.19012 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.4981 10.703 2.19012 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -20.7261 10.703 2.19012 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.7261 10.703 2.19012 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.1921 10.703 2.19012 0.31955 protocols.relax.FastRelax: CMD: min -20.3409 10.7002 2.18875 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -20.3409 10.7002 2.18875 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -10.3994 10.7002 2.18875 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.3994 10.7002 2.18875 0.55 protocols.relax.FastRelax: CMD: min -14.3968 10.823 2.81617 0.55 protocols.relax.FastRelax: MRP: 1 -14.3968 -14.3968 10.823 2.81617 protocols.relax.FastRelax: CMD: accept_to_best -14.3968 10.823 2.81617 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.3968 10.823 2.81617 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.3968 10.823 2.81617 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.7257 10.823 2.81617 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.208 10.823 2.81617 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.7233 10.823 2.81617 0.02805 protocols.relax.FastRelax: CMD: min -34.8936 10.824 2.82223 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.8936 10.824 2.82223 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.375 10.824 2.82223 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.3684 10.824 2.82223 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0283 10.824 2.82223 0.154 protocols.relax.FastRelax: CMD: min -28.4792 10.8343 2.83624 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.4792 10.8343 2.83624 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6794 10.8343 2.83624 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.6794 10.8343 2.83624 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1432 10.8343 2.83624 0.31955 protocols.relax.FastRelax: CMD: min -21.3365 10.8333 2.82897 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.3365 10.8333 2.82897 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.618 10.8333 2.82897 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.7747 10.8333 2.82897 0.55 protocols.relax.FastRelax: CMD: min -14.2952 10.7947 2.82278 0.55 protocols.relax.FastRelax: MRP: 2 -14.2952 -14.3968 10.823 2.81617 protocols.relax.FastRelax: CMD: accept_to_best -14.2952 10.7947 2.82278 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.2952 10.7947 2.82278 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.2952 10.7947 2.82278 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4405 10.7947 2.82278 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.0173 10.7947 2.82278 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0398 10.7947 2.82278 0.02805 protocols.relax.FastRelax: CMD: min -34.2048 10.7929 2.82295 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.2048 10.7929 2.82295 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -15.8306 10.7929 2.82295 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.8796 10.7929 2.82295 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5492 10.7929 2.82295 0.154 protocols.relax.FastRelax: CMD: min -28.107 10.8 2.84004 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.107 10.8 2.84004 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.3758 10.8 2.84004 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.4901 10.8 2.84004 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.9769 10.8 2.84004 0.31955 protocols.relax.FastRelax: CMD: min -21.2623 10.7969 2.83378 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.2623 10.7969 2.83378 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.0313 10.7969 2.83378 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 404 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.0313 10.7969 2.83378 0.55 protocols.relax.FastRelax: CMD: min -14.2981 10.792 2.82844 0.55 protocols.relax.FastRelax: MRP: 3 -14.2981 -14.3968 10.823 2.81617 protocols.relax.FastRelax: CMD: accept_to_best -14.2981 10.792 2.82844 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.2981 10.792 2.82844 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -14.2981 10.792 2.82844 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4504 10.792 2.82844 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.0243 10.792 2.82844 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0217 10.792 2.82844 0.02805 protocols.relax.FastRelax: CMD: min -34.1881 10.7904 2.82858 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -34.1881 10.7904 2.82858 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -15.3133 10.7904 2.82858 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.8592 10.7904 2.82858 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5291 10.7904 2.82858 0.154 protocols.relax.FastRelax: CMD: min -28.0887 10.7973 2.84554 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -28.0887 10.7973 2.84554 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.3752 10.7973 2.84554 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 414 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.4775 10.7973 2.84554 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -20.9653 10.7973 2.84554 0.31955 protocols.relax.FastRelax: CMD: min -21.2356 10.7944 2.83942 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.2356 10.7944 2.83942 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.0014 10.7944 2.83942 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 404 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.0014 10.7944 2.83942 0.55 protocols.relax.FastRelax: CMD: min -14.2978 10.7908 2.82936 0.55 protocols.relax.FastRelax: MRP: 4 -14.2978 -14.3968 10.823 2.81617 protocols.relax.FastRelax: CMD: accept_to_best -14.2978 10.7908 2.82936 0.55 protocols.relax.FastRelax: CMD: endrepeat -14.2978 10.7908 2.82936 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_30.pdb protocols.relax.FastRelax: CMD: repeat 16200.8 8.36307 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16200.8 8.36307 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 2223.55 8.36307 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 30.5622 8.36307 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 37.4819 8.36307 0 0.02805 protocols.relax.FastRelax: CMD: min -50.956 8.4235 1.69169 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -50.956 8.4235 1.69169 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -8.04138 8.4235 1.69169 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.8584 8.4235 1.69169 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -7.94382 8.4235 1.69169 0.154 protocols.relax.FastRelax: CMD: min -39.546 8.41649 2.4978 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.546 8.41649 2.4978 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2564 8.41649 2.4978 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.2541 8.41649 2.4978 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2931 8.41649 2.4978 0.31955 protocols.relax.FastRelax: CMD: min -33.4178 8.38847 2.32247 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.4178 8.38847 2.32247 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3158 8.38847 2.32247 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.3296 8.38847 2.32247 0.55 protocols.relax.FastRelax: CMD: min -36.64 8.47161 3.11929 0.55 protocols.relax.FastRelax: MRP: 0 -36.64 -36.64 8.47161 3.11929 protocols.relax.FastRelax: CMD: accept_to_best -36.64 8.47161 3.11929 0.55 protocols.relax.FastRelax: CMD: endrepeat -36.64 8.47161 3.11929 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -36.64 8.47161 3.11929 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5542 8.47161 3.11929 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7783 8.47161 3.11929 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -57.5391 8.47161 3.11929 0.02805 protocols.relax.FastRelax: CMD: min -62.7374 8.60823 3.10438 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -62.7374 8.60823 3.10438 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.5281 8.60823 3.10438 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.5185 8.60823 3.10438 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1332 8.60823 3.10438 0.154 protocols.relax.FastRelax: CMD: min -54.9101 8.54099 3.18199 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -54.9101 8.54099 3.18199 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -44.9112 8.54099 3.18199 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.9124 8.54099 3.18199 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1241 8.54099 3.18199 0.31955 protocols.relax.FastRelax: CMD: min -45.5078 8.52099 3.14767 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.5078 8.52099 3.14767 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.6313 8.52099 3.14767 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.0552 8.52099 3.14767 0.55 protocols.relax.FastRelax: CMD: min -44.5127 9.05928 4.85552 0.55 protocols.relax.FastRelax: MRP: 1 -44.5127 -44.5127 9.05928 4.85552 protocols.relax.FastRelax: CMD: accept_to_best -44.5127 9.05928 4.85552 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.5127 9.05928 4.85552 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.5127 9.05928 4.85552 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8363 9.05928 4.85552 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.6668 9.05928 4.85552 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.3663 9.05928 4.85552 0.02805 protocols.relax.FastRelax: CMD: min -70.2563 9.18714 4.7889 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -70.2563 9.18714 4.7889 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5332 9.18714 4.7889 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.4918 9.18714 4.7889 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8954 9.18714 4.7889 0.154 protocols.relax.FastRelax: CMD: min -59.925 9.14316 4.85453 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.925 9.14316 4.85453 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.1646 9.14316 4.85453 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.1823 9.14316 4.85453 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.4934 9.14316 4.85453 0.31955 protocols.relax.FastRelax: CMD: min -50.948 9.12989 4.86316 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.948 9.12989 4.86316 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.5806 9.12989 4.86316 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.6032 9.12989 4.86316 0.55 protocols.relax.FastRelax: CMD: min -47.955 9.24422 5.13754 0.55 protocols.relax.FastRelax: MRP: 2 -47.955 -47.955 9.24422 5.13754 protocols.relax.FastRelax: CMD: accept_to_best -47.955 9.24422 5.13754 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.955 9.24422 5.13754 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.955 9.24422 5.13754 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.3231 9.24422 5.13754 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.4225 9.24422 5.13754 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.1583 9.24422 5.13754 0.02805 protocols.relax.FastRelax: CMD: min -77.2705 9.4077 5.36979 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.2705 9.4077 5.36979 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.725 9.4077 5.36979 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 587 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.8792 9.4077 5.36979 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2514 9.4077 5.36979 0.154 protocols.relax.FastRelax: CMD: min -64.3218 9.34702 5.35652 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.3218 9.34702 5.35652 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.3055 9.34702 5.35652 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.4955 9.34702 5.35652 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5498 9.34702 5.35652 0.31955 protocols.relax.FastRelax: CMD: min -55.747 9.29049 5.1993 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.747 9.29049 5.1993 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.3347 9.29049 5.1993 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4284 9.29049 5.1993 0.55 protocols.relax.FastRelax: CMD: min -48.5261 9.24262 5.1425 0.55 protocols.relax.FastRelax: MRP: 3 -48.5261 -48.5261 9.24262 5.1425 protocols.relax.FastRelax: CMD: accept_to_best -48.5261 9.24262 5.1425 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.5261 9.24262 5.1425 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.5261 9.24262 5.1425 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -66.4511 9.24262 5.1425 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.001 9.24262 5.1425 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7474 9.24262 5.1425 0.02805 protocols.relax.FastRelax: CMD: min -76.8861 9.38733 5.40346 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.8861 9.38733 5.40346 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6376 9.38733 5.40346 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 585 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8093 9.38733 5.40346 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4851 9.38733 5.40346 0.154 protocols.relax.FastRelax: CMD: min -65.2086 9.34041 5.30339 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.2086 9.34041 5.30339 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.6215 9.34041 5.30339 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.6251 9.34041 5.30339 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.7919 9.34041 5.30339 0.31955 protocols.relax.FastRelax: CMD: min -56.4174 9.27731 5.20676 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.4174 9.27731 5.20676 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.8482 9.27731 5.20676 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.8518 9.27731 5.20676 0.55 protocols.relax.FastRelax: CMD: min -48.5483 9.27687 5.21843 0.55 protocols.relax.FastRelax: MRP: 4 -48.5483 -48.5483 9.27687 5.21843 protocols.relax.FastRelax: CMD: accept_to_best -48.5483 9.27687 5.21843 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.5483 9.27687 5.21843 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_46.pdb protocols.relax.FastRelax: CMD: repeat 9583.6 5.68329 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9583.6 5.68329 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1907.04 5.68329 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 389 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 38.9649 5.68329 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 45.0261 5.68329 0 0.02805 protocols.relax.FastRelax: CMD: min 381.408 8.40981 7.83209 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 381.408 8.40981 7.83209 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 2232.07 8.40981 7.83209 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1732.24 8.40981 7.83209 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1833.32 8.40981 7.83209 0.154 protocols.relax.FastRelax: CMD: min 46.4292 10.3445 10.6721 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 46.4292 10.3445 10.6721 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 152.683 10.3445 10.6721 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.3968 10.3445 10.6721 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -10.5984 10.3445 10.6721 0.31955 protocols.relax.FastRelax: CMD: min -39.8833 9.86642 9.88825 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.8833 9.86642 9.88825 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.947 9.86642 9.88825 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.086 9.86642 9.88825 0.55 protocols.relax.FastRelax: CMD: min -32.2812 9.75166 9.56417 0.55 protocols.relax.FastRelax: MRP: 0 -32.2812 -32.2812 9.75166 9.56417 protocols.relax.FastRelax: CMD: accept_to_best -32.2812 9.75166 9.56417 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.2812 9.75166 9.56417 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.2812 9.75166 9.56417 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -53.8133 9.75166 9.56417 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.5313 9.75166 9.56417 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0662 9.75166 9.56417 0.02805 protocols.relax.FastRelax: CMD: min -69.3637 9.89061 9.88069 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3637 9.89061 9.88069 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0721 9.89061 9.88069 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.2282 9.89061 9.88069 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1929 9.89061 9.88069 0.154 protocols.relax.FastRelax: CMD: min -55.2579 9.80333 9.68549 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.2579 9.80333 9.68549 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.0805 9.80333 9.68549 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1313 9.80333 9.68549 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1658 9.80333 9.68549 0.31955 protocols.relax.FastRelax: CMD: min -44.8914 9.77113 9.62104 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -44.8914 9.77113 9.62104 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.1923 9.77113 9.62104 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.1923 9.77113 9.62104 0.55 protocols.relax.FastRelax: CMD: min -35.5179 9.76826 9.63841 0.55 protocols.relax.FastRelax: MRP: 1 -35.5179 -35.5179 9.76826 9.63841 protocols.relax.FastRelax: CMD: accept_to_best -35.5179 9.76826 9.63841 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5179 9.76826 9.63841 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5179 9.76826 9.63841 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -57.283 9.76826 9.63841 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4083 9.76826 9.63841 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9015 9.76826 9.63841 0.02805 protocols.relax.FastRelax: CMD: min -70.4386 9.82449 9.77003 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4386 9.82449 9.77003 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -40.2361 9.82449 9.77003 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.6167 9.82449 9.77003 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.7213 9.82449 9.77003 0.154 protocols.relax.FastRelax: CMD: min -55.9428 9.78841 9.68915 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9428 9.78841 9.68915 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.8994 9.78841 9.68915 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.9278 9.78841 9.68915 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.9713 9.78841 9.68915 0.31955 protocols.relax.FastRelax: CMD: min -45.4547 9.74587 9.60559 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.4547 9.74587 9.60559 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.3845 9.74587 9.60559 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.3845 9.74587 9.60559 0.55 protocols.relax.FastRelax: CMD: min -35.5169 9.77296 9.64736 0.55 protocols.relax.FastRelax: MRP: 2 -35.5169 -35.5179 9.76826 9.63841 protocols.relax.FastRelax: CMD: accept_to_best -35.5169 9.77296 9.64736 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5169 9.77296 9.64736 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5169 9.77296 9.64736 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -57.2942 9.77296 9.64736 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4342 9.77296 9.64736 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9247 9.77296 9.64736 0.02805 protocols.relax.FastRelax: CMD: min -73.1486 9.87415 9.91281 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -73.1486 9.87415 9.91281 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.5981 9.87415 9.91281 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.9048 9.87415 9.91281 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.5075 9.87415 9.91281 0.154 protocols.relax.FastRelax: CMD: min -55.6778 9.75207 9.67502 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.6778 9.75207 9.67502 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.1803 9.75207 9.67502 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.272 9.75207 9.67502 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -41.2054 9.75207 9.67502 0.31955 protocols.relax.FastRelax: CMD: min -45.2032 9.74603 9.62727 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2032 9.74603 9.62727 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.5168 9.74603 9.62727 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.5168 9.74603 9.62727 0.55 protocols.relax.FastRelax: CMD: min -35.5183 9.77102 9.65014 0.55 protocols.relax.FastRelax: MRP: 3 -35.5183 -35.5183 9.77102 9.65014 protocols.relax.FastRelax: CMD: accept_to_best -35.5183 9.77102 9.65014 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5183 9.77102 9.65014 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5183 9.77102 9.65014 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -57.306 9.77102 9.65014 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4344 9.77102 9.65014 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9246 9.77102 9.65014 0.02805 protocols.relax.FastRelax: CMD: min -72.4504 9.88968 9.91633 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.4504 9.88968 9.91633 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.5405 9.88968 9.91633 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.0917 9.88968 9.91633 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6548 9.88968 9.91633 0.154 protocols.relax.FastRelax: CMD: min -55.5362 9.76948 9.66066 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.5362 9.76948 9.66066 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8599 9.76948 9.66066 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.3391 9.76948 9.66066 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.3318 9.76948 9.66066 0.31955 protocols.relax.FastRelax: CMD: min -44.6187 9.71455 9.55342 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -44.6187 9.71455 9.55342 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.1912 9.71455 9.55342 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.3074 9.71455 9.55342 0.55 protocols.relax.FastRelax: CMD: min -35.5176 9.76154 9.63478 0.55 protocols.relax.FastRelax: MRP: 4 -35.5176 -35.5183 9.77102 9.65014 protocols.relax.FastRelax: CMD: accept_to_best -35.5176 9.76154 9.63478 0.55 protocols.relax.FastRelax: CMD: endrepeat -35.5176 9.76154 9.63478 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_25.pdb protocols.relax.FastRelax: CMD: repeat 12313 9.17318 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12313 9.17318 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1985.55 9.17318 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 62.9862 9.17318 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 73.9013 9.17318 0 0.02805 protocols.relax.FastRelax: CMD: min 14.9712 9.15269 4.54618 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 14.9712 9.15269 4.54618 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 282.782 9.15269 4.54618 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.3922 9.15269 4.54618 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.5315 9.15269 4.54618 0.154 protocols.relax.FastRelax: CMD: min -39.5277 9.06865 3.92688 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.5277 9.06865 3.92688 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.5718 9.06865 3.92688 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4963 9.06865 3.92688 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -26.4775 9.06865 3.92688 0.31955 protocols.relax.FastRelax: CMD: min -29.5802 9.11765 3.8597 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -29.5802 9.11765 3.8597 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.9858 9.11765 3.8597 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.0487 9.11765 3.8597 0.55 protocols.relax.FastRelax: CMD: min -29.2525 8.83841 4.52 0.55 protocols.relax.FastRelax: MRP: 0 -29.2525 -29.2525 8.83841 4.52 protocols.relax.FastRelax: CMD: accept_to_best -29.2525 8.83841 4.52 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.2525 8.83841 4.52 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -29.2525 8.83841 4.52 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8938 8.83841 4.52 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.5772 8.83841 4.52 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.3142 8.83841 4.52 0.02805 protocols.relax.FastRelax: CMD: min -58.4581 8.80886 4.53675 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.4581 8.80886 4.53675 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.8066 8.80886 4.53675 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.8714 8.80886 4.53675 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2837 8.80886 4.53675 0.154 protocols.relax.FastRelax: CMD: min -46.0528 8.86355 4.47379 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.0528 8.86355 4.47379 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8053 8.86355 4.47379 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.8053 8.86355 4.47379 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.9184 8.86355 4.47379 0.31955 protocols.relax.FastRelax: CMD: min -36.8801 8.87716 4.46569 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.8801 8.87716 4.46569 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.7415 8.87716 4.46569 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.7443 8.87716 4.46569 0.55 protocols.relax.FastRelax: CMD: min -32.0326 8.87221 4.39305 0.55 protocols.relax.FastRelax: MRP: 1 -32.0326 -32.0326 8.87221 4.39305 protocols.relax.FastRelax: CMD: accept_to_best -32.0326 8.87221 4.39305 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.0326 8.87221 4.39305 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.0326 8.87221 4.39305 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.4249 8.87221 4.39305 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.8776 8.87221 4.39305 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -52.5632 8.87221 4.39305 0.02805 protocols.relax.FastRelax: CMD: min -57.6539 8.87333 4.43326 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -57.6539 8.87333 4.43326 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2764 8.87333 4.43326 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.8162 8.87333 4.43326 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.6553 8.87333 4.43326 0.154 protocols.relax.FastRelax: CMD: min -48.3254 8.85903 4.30583 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -48.3254 8.85903 4.30583 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0624 8.85903 4.30583 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.1285 8.85903 4.30583 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3978 8.85903 4.30583 0.31955 protocols.relax.FastRelax: CMD: min -39.8682 8.89248 4.32744 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.8682 8.89248 4.32744 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2543 8.89248 4.32744 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.2647 8.89248 4.32744 0.55 protocols.relax.FastRelax: CMD: min -32.1267 8.87575 4.37517 0.55 protocols.relax.FastRelax: MRP: 2 -32.1267 -32.1267 8.87575 4.37517 protocols.relax.FastRelax: CMD: accept_to_best -32.1267 8.87575 4.37517 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.1267 8.87575 4.37517 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.1267 8.87575 4.37517 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7159 8.87575 4.37517 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.2521 8.87575 4.37517 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -52.9309 8.87575 4.37517 0.02805 protocols.relax.FastRelax: CMD: min -65.5196 8.87746 4.32424 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.5196 8.87746 4.32424 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.501 8.87746 4.32424 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.6713 8.87746 4.32424 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4936 8.87746 4.32424 0.154 protocols.relax.FastRelax: CMD: min -50.8247 8.85551 4.33455 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8247 8.85551 4.33455 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1916 8.85551 4.33455 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.2 8.85551 4.33455 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.2833 8.85551 4.33455 0.31955 protocols.relax.FastRelax: CMD: min -39.7509 8.82813 4.41214 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.7509 8.82813 4.41214 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.5586 8.82813 4.41214 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.5629 8.82813 4.41214 0.55 protocols.relax.FastRelax: CMD: min -32.127 8.87688 4.37244 0.55 protocols.relax.FastRelax: MRP: 3 -32.127 -32.127 8.87688 4.37244 protocols.relax.FastRelax: CMD: accept_to_best -32.127 8.87688 4.37244 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.127 8.87688 4.37244 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.127 8.87688 4.37244 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7014 8.87688 4.37244 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.2379 8.87688 4.37244 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -52.918 8.87688 4.37244 0.02805 protocols.relax.FastRelax: CMD: min -65.3229 8.88371 4.30961 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.3229 8.88371 4.30961 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8777 8.88371 4.30961 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.938 8.88371 4.30961 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0012 8.88371 4.30961 0.154 protocols.relax.FastRelax: CMD: min -50.8614 8.85629 4.33847 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8614 8.85629 4.33847 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0419 8.85629 4.33847 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.0515 8.85629 4.33847 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1203 8.85629 4.33847 0.31955 protocols.relax.FastRelax: CMD: min -41.0994 8.87031 4.34568 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.0994 8.87031 4.34568 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.2582 8.87031 4.34568 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.2587 8.87031 4.34568 0.55 protocols.relax.FastRelax: CMD: min -32.127 8.87724 4.37227 0.55 protocols.relax.FastRelax: MRP: 4 -32.127 -32.127 8.87724 4.37227 protocols.relax.FastRelax: CMD: accept_to_best -32.127 8.87724 4.37227 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.127 8.87724 4.37227 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_32.pdb protocols.relax.FastRelax: CMD: repeat 6788.17 9.68465 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 6788.17 9.68465 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1543.46 9.68465 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 394 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 63.5107 9.68465 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 64.276 9.68465 0 0.02805 protocols.relax.FastRelax: CMD: min 64.2168 9.68662 0.0101714 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 64.2168 9.68662 0.0101714 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 79.1104 9.68662 0.0101714 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 378 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 78.2672 9.68662 0.0101714 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 79.2258 9.68662 0.0101714 0.154 protocols.relax.FastRelax: CMD: min 79.1445 9.68748 0.0184685 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 79.1445 9.68748 0.0184685 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 96.95 9.68748 0.0184685 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 370 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 96.5904 9.68748 0.0184685 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 97.9864 9.68748 0.0184685 0.31955 protocols.relax.FastRelax: CMD: min 10.3792 10.822 3.94331 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight 10.3792 10.822 3.94331 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 13.824 10.822 3.94331 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 415 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 12.5826 10.822 3.94331 0.55 protocols.relax.FastRelax: CMD: min 4.6292 10.9749 4.5987 0.55 protocols.relax.FastRelax: MRP: 0 4.6292 4.6292 10.9749 4.5987 protocols.relax.FastRelax: CMD: accept_to_best 4.6292 10.9749 4.5987 0.55 protocols.relax.FastRelax: CMD: endrepeat 4.6292 10.9749 4.5987 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 4.6292 10.9749 4.5987 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -2.54638 10.9749 4.5987 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.913 10.9749 4.5987 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -4.82088 10.9749 4.5987 0.02805 protocols.relax.FastRelax: CMD: min -4.86324 10.979 4.60444 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -4.86324 10.979 4.60444 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -3.0619 10.979 4.60444 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.0619 10.979 4.60444 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -2.93564 10.979 4.60444 0.154 protocols.relax.FastRelax: CMD: min -2.95741 10.9819 4.60858 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -2.95741 10.9819 4.60858 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -0.600368 10.9819 4.60858 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -0.600378 10.9819 4.60858 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -0.414519 10.9819 4.60858 0.31955 protocols.relax.FastRelax: CMD: min -2.34808 11.103 5.21073 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -2.34808 11.103 5.21073 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 1.56659 11.103 5.21073 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.53854 11.103 5.21073 0.55 protocols.relax.FastRelax: CMD: min 0.813247 11.1632 5.4737 0.55 protocols.relax.FastRelax: MRP: 1 0.813247 0.813247 11.1632 5.4737 protocols.relax.FastRelax: CMD: accept_to_best 0.813247 11.1632 5.4737 0.55 protocols.relax.FastRelax: CMD: endrepeat 0.813247 11.1632 5.4737 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 0.813247 11.1632 5.4737 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -6.02226 11.1632 5.4737 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.19998 11.1632 5.4737 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -6.11438 11.1632 5.4737 0.02805 protocols.relax.FastRelax: CMD: min -6.15585 11.1672 5.47814 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -6.15585 11.1672 5.47814 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.48106 11.1672 5.47814 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.48106 11.1672 5.47814 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.36367 11.1672 5.47814 0.154 protocols.relax.FastRelax: CMD: min -4.38383 11.1701 5.48124 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -4.38383 11.1701 5.48124 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -2.19155 11.1701 5.48124 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.19156 11.1701 5.48124 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -2.01869 11.1701 5.48124 0.31955 protocols.relax.FastRelax: CMD: min -2.02332 11.1713 5.48269 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -2.02332 11.1713 5.48269 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 1.27506 11.1713 5.48269 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.27505 11.1713 5.48269 0.55 protocols.relax.FastRelax: CMD: min 0.812077 11.175 5.50577 0.55 protocols.relax.FastRelax: MRP: 2 0.812077 0.812077 11.175 5.50577 protocols.relax.FastRelax: CMD: accept_to_best 0.812077 11.175 5.50577 0.55 protocols.relax.FastRelax: CMD: endrepeat 0.812077 11.175 5.50577 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 0.812077 11.175 5.50577 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -6.02699 11.175 5.50577 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.20896 11.175 5.50577 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -6.12319 11.175 5.50577 0.02805 protocols.relax.FastRelax: CMD: min -6.16454 11.1791 5.5102 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -6.16454 11.1791 5.5102 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.48658 11.1791 5.5102 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.48658 11.1791 5.5102 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.36897 11.1791 5.5102 0.154 protocols.relax.FastRelax: CMD: min -4.3891 11.1819 5.5133 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -4.3891 11.1819 5.5133 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -2.19272 11.1819 5.5133 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.19273 11.1819 5.5133 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -2.01954 11.1819 5.5133 0.31955 protocols.relax.FastRelax: CMD: min -2.02419 11.1832 5.51477 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -2.02419 11.1832 5.51477 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 1.28033 11.1832 5.51477 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.28032 11.1832 5.51477 0.55 protocols.relax.FastRelax: CMD: min 0.81162 11.1779 5.51183 0.55 protocols.relax.FastRelax: MRP: 3 0.81162 0.81162 11.1779 5.51183 protocols.relax.FastRelax: CMD: accept_to_best 0.81162 11.1779 5.51183 0.55 protocols.relax.FastRelax: CMD: endrepeat 0.81162 11.1779 5.51183 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 0.81162 11.1779 5.51183 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -6.0347 11.1779 5.51183 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.21689 11.1779 5.51183 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -6.13104 11.1779 5.51183 0.02805 protocols.relax.FastRelax: CMD: min -6.17236 11.182 5.51624 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -6.17236 11.182 5.51624 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.49276 11.182 5.51624 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.49277 11.182 5.51624 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.37504 11.182 5.51624 0.154 protocols.relax.FastRelax: CMD: min -4.39513 11.1848 5.51933 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -4.39513 11.1848 5.51933 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -2.19661 11.1848 5.51933 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.19662 11.1848 5.51933 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -2.02327 11.1848 5.51933 0.31955 protocols.relax.FastRelax: CMD: min -2.02788 11.1861 5.52077 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -2.02788 11.1861 5.52077 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 1.27984 11.1861 5.52077 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.27982 11.1861 5.52077 0.55 protocols.relax.FastRelax: CMD: min 0.81355 11.1816 5.51936 0.55 protocols.relax.FastRelax: MRP: 4 0.81355 0.81162 11.1779 5.51183 protocols.relax.FastRelax: CMD: accept_to_best 0.81355 11.1816 5.51936 0.55 protocols.relax.FastRelax: CMD: endrepeat 0.81355 11.1816 5.51936 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_7.pdb protocols.relax.FastRelax: CMD: repeat 11377.7 6.54534 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11377.7 6.54534 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1874.97 6.54534 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 385 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 45.0247 6.54534 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 47.74 6.54534 0 0.02805 protocols.relax.FastRelax: CMD: min 47.5527 6.53963 0.0238367 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 47.5527 6.53963 0.0238367 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 99.8714 6.53963 0.0238367 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 365 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 93.4287 6.53963 0.0238367 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 96.5185 6.53963 0.0238367 0.154 protocols.relax.FastRelax: CMD: min -12.6852 5.72164 4.1461 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -12.6852 5.72164 4.1461 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -2.81793 5.72164 4.1461 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.41064 5.72164 4.1461 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -4.66497 5.72164 4.1461 0.31955 protocols.relax.FastRelax: CMD: min -12.0089 5.60851 5.21835 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -12.0089 5.60851 5.21835 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.09022 5.60851 5.21835 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.09123 5.60851 5.21835 0.55 protocols.relax.FastRelax: CMD: min -8.83455 5.81656 6.09009 0.55 protocols.relax.FastRelax: MRP: 0 -8.83455 -8.83455 5.81656 6.09009 protocols.relax.FastRelax: CMD: accept_to_best -8.83455 5.81656 6.09009 0.55 protocols.relax.FastRelax: CMD: endrepeat -8.83455 5.81656 6.09009 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -8.83455 5.81656 6.09009 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4503 5.81656 6.09009 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.6639 5.81656 6.09009 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8256 5.81656 6.09009 0.02805 protocols.relax.FastRelax: CMD: min -30.9073 5.82141 6.09591 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -30.9073 5.82141 6.09591 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9726 5.82141 6.09591 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.0996 5.82141 6.09591 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -20.4905 5.82141 6.09591 0.154 protocols.relax.FastRelax: CMD: min -33.2205 6.27875 6.67746 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.2205 6.27875 6.67746 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7608 6.27875 6.67746 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.9023 6.27875 6.67746 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2393 6.27875 6.67746 0.31955 protocols.relax.FastRelax: CMD: min -24.2915 6.28411 6.68251 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.2915 6.28411 6.68251 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.7267 6.28411 6.68251 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.9176 6.28411 6.68251 0.55 protocols.relax.FastRelax: CMD: min -24.7324 7.90293 8.48367 0.55 protocols.relax.FastRelax: MRP: 1 -24.7324 -24.7324 7.90293 8.48367 protocols.relax.FastRelax: CMD: accept_to_best -24.7324 7.90293 8.48367 0.55 protocols.relax.FastRelax: CMD: endrepeat -24.7324 7.90293 8.48367 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -24.7324 7.90293 8.48367 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8849 7.90293 8.48367 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.6125 7.90293 8.48367 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -40.0779 7.90293 8.48367 0.02805 protocols.relax.FastRelax: CMD: min -40.1086 7.89901 8.48021 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -40.1086 7.89901 8.48021 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.7197 7.89901 8.48021 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.376 7.89901 8.48021 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.0922 7.89901 8.48021 0.154 protocols.relax.FastRelax: CMD: min -35.106 7.8962 8.47795 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.106 7.8962 8.47795 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -29.8211 7.8962 8.47795 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.8212 7.8962 8.47795 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -29.4045 7.8962 8.47795 0.31955 protocols.relax.FastRelax: CMD: min -29.413 7.89491 8.47725 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -29.413 7.89491 8.47725 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.4776 7.89491 8.47725 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.8021 7.89491 8.47725 0.55 protocols.relax.FastRelax: CMD: min -27.0012 7.97137 8.68048 0.55 protocols.relax.FastRelax: MRP: 2 -27.0012 -27.0012 7.97137 8.68048 protocols.relax.FastRelax: CMD: accept_to_best -27.0012 7.97137 8.68048 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.0012 7.97137 8.68048 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -27.0012 7.97137 8.68048 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -39.8335 7.97137 8.68048 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.5512 7.97137 8.68048 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9095 7.97137 8.68048 0.02805 protocols.relax.FastRelax: CMD: min -41.9422 7.9675 8.67713 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9422 7.9675 8.67713 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.4729 7.9675 8.67713 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.2386 7.9675 8.67713 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0089 7.9675 8.67713 0.154 protocols.relax.FastRelax: CMD: min -36.0213 7.96525 8.67521 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.0213 7.96525 8.67521 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7419 7.96525 8.67521 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.7443 7.96525 8.67521 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.4071 7.96525 8.67521 0.31955 protocols.relax.FastRelax: CMD: min -31.4114 7.96509 8.67522 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.4114 7.96509 8.67522 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9885 7.96509 8.67522 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 402 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.9888 7.96509 8.67522 0.55 protocols.relax.FastRelax: CMD: min -27.0023 7.98369 8.69429 0.55 protocols.relax.FastRelax: MRP: 3 -27.0023 -27.0023 7.98369 8.69429 protocols.relax.FastRelax: CMD: accept_to_best -27.0023 7.98369 8.69429 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.0023 7.98369 8.69429 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -27.0023 7.98369 8.69429 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -39.8164 7.98369 8.69429 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.528 7.98369 8.69429 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -41.8849 7.98369 8.69429 0.02805 protocols.relax.FastRelax: CMD: min -41.9179 7.97977 8.6909 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9179 7.97977 8.6909 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.4215 7.97977 8.6909 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.2196 7.97977 8.6909 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9899 7.97977 8.6909 0.154 protocols.relax.FastRelax: CMD: min -36.0025 7.97749 8.68894 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.0025 7.97749 8.68894 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.7237 7.97749 8.68894 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 406 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.7259 7.97749 8.68894 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.3888 7.97749 8.68894 0.31955 protocols.relax.FastRelax: CMD: min -31.3931 7.97731 8.68893 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -31.3931 7.97731 8.68893 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9711 7.97731 8.68893 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.9712 7.97731 8.68893 0.55 protocols.relax.FastRelax: CMD: min -27.002 7.98786 8.69784 0.55 protocols.relax.FastRelax: MRP: 4 -27.002 -27.0023 7.98369 8.69429 protocols.relax.FastRelax: CMD: accept_to_best -27.002 7.98786 8.69784 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.002 7.98786 8.69784 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_8.pdb protocols.relax.FastRelax: CMD: repeat 10134.5 7.80335 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10134.5 7.80335 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1762.42 7.80335 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 407 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 72.1533 7.80335 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 84.5684 7.80335 0 0.02805 protocols.relax.FastRelax: CMD: min 35.3645 7.68527 3.99105 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 35.3645 7.68527 3.99105 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 88.1414 7.68527 3.99105 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 81.9316 7.68527 3.99105 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 85.2956 7.68527 3.99105 0.154 protocols.relax.FastRelax: CMD: min -17.3721 8.4846 4.78055 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -17.3721 8.4846 4.78055 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -8.00164 8.4846 4.78055 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.67997 8.4846 4.78055 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -7.93903 8.4846 4.78055 0.31955 protocols.relax.FastRelax: CMD: min -7.98104 8.48309 4.77887 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -7.98104 8.48309 4.77887 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep 6.0759 8.48309 4.77887 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 6.07036 8.48309 4.77887 0.55 protocols.relax.FastRelax: CMD: min -9.99923 8.3377 4.79004 0.55 protocols.relax.FastRelax: MRP: 0 -9.99923 -9.99923 8.3377 4.79004 protocols.relax.FastRelax: CMD: accept_to_best -9.99923 8.3377 4.79004 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.99923 8.3377 4.79004 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -9.99923 8.3377 4.79004 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -26.3646 8.3377 4.79004 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6273 8.3377 4.79004 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.0742 8.3377 4.79004 0.02805 protocols.relax.FastRelax: CMD: min -30.1466 8.33581 4.79375 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -30.1466 8.33581 4.79375 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -19.5546 8.33581 4.79375 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.8332 8.33581 4.79375 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.4546 8.33581 4.79375 0.154 protocols.relax.FastRelax: CMD: min -24.4801 8.33511 4.79603 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.4801 8.33511 4.79603 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.4451 8.33511 4.79603 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.4451 8.33511 4.79603 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -16.8904 8.33511 4.79603 0.31955 protocols.relax.FastRelax: CMD: min -16.9584 8.33422 4.79728 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -16.9584 8.33422 4.79728 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.44994 8.33422 4.79728 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.22148 8.33422 4.79728 0.55 protocols.relax.FastRelax: CMD: min -25.5206 8.38346 4.80201 0.55 protocols.relax.FastRelax: MRP: 1 -25.5206 -25.5206 8.38346 4.80201 protocols.relax.FastRelax: CMD: accept_to_best -25.5206 8.38346 4.80201 0.55 protocols.relax.FastRelax: CMD: endrepeat -25.5206 8.38346 4.80201 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -25.5206 8.38346 4.80201 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -40.2548 8.38346 4.80201 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.042 8.38346 4.80201 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -43.8135 8.38346 4.80201 0.02805 protocols.relax.FastRelax: CMD: min -52.7289 8.4527 4.7125 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.7289 8.4527 4.7125 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8266 8.4527 4.7125 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.8471 8.4527 4.7125 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7796 8.4527 4.7125 0.154 protocols.relax.FastRelax: CMD: min -43.0294 8.45739 4.82011 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.0294 8.45739 4.82011 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.3245 8.45739 4.82011 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.3251 8.45739 4.82011 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6389 8.45739 4.82011 0.31955 protocols.relax.FastRelax: CMD: min -34.0913 8.44079 4.80587 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.0913 8.44079 4.80587 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7684 8.44079 4.80587 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.6776 8.44079 4.80587 0.55 protocols.relax.FastRelax: CMD: min -30.6875 8.47265 4.5687 0.55 protocols.relax.FastRelax: MRP: 2 -30.6875 -30.6875 8.47265 4.5687 protocols.relax.FastRelax: CMD: accept_to_best -30.6875 8.47265 4.5687 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.6875 8.47265 4.5687 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.6875 8.47265 4.5687 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.0857 8.47265 4.5687 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.1227 8.47265 4.5687 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.6498 8.47265 4.5687 0.02805 protocols.relax.FastRelax: CMD: min -53.9951 8.46232 4.66593 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.9951 8.46232 4.66593 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.4303 8.46232 4.66593 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.6911 8.46232 4.66593 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -29.1154 8.46232 4.66593 0.154 protocols.relax.FastRelax: CMD: min -44.1632 8.48437 4.676 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -44.1632 8.48437 4.676 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.458 8.48437 4.676 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.4633 8.48437 4.676 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.7781 8.48437 4.676 0.31955 protocols.relax.FastRelax: CMD: min -35.1655 8.48006 4.66384 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.1655 8.48006 4.66384 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.7709 8.48006 4.66384 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.7716 8.48006 4.66384 0.55 protocols.relax.FastRelax: CMD: min -30.696 8.48028 4.57383 0.55 protocols.relax.FastRelax: MRP: 3 -30.696 -30.696 8.48028 4.57383 protocols.relax.FastRelax: CMD: accept_to_best -30.696 8.48028 4.57383 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.696 8.48028 4.57383 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.696 8.48028 4.57383 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.106 8.48028 4.57383 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.1193 8.48028 4.57383 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.643 8.48028 4.57383 0.02805 protocols.relax.FastRelax: CMD: min -49.5877 8.57539 4.71385 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -49.5877 8.57539 4.71385 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -29.6215 8.57539 4.71385 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.0084 8.57539 4.71385 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.3033 8.57539 4.71385 0.154 protocols.relax.FastRelax: CMD: min -41.8931 8.52294 4.56049 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -41.8931 8.52294 4.56049 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2607 8.52294 4.56049 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2607 8.52294 4.56049 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.7377 8.52294 4.56049 0.31955 protocols.relax.FastRelax: CMD: min -34.8393 8.5235 4.55522 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.8393 8.5235 4.55522 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0726 8.5235 4.55522 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.0749 8.5235 4.55522 0.55 protocols.relax.FastRelax: CMD: min -29.8239 8.2185 4.3897 0.55 protocols.relax.FastRelax: MRP: 4 -29.8239 -30.696 8.48028 4.57383 protocols.relax.FastRelax: CMD: accept_to_best -29.8239 8.2185 4.3897 0.55 protocols.relax.FastRelax: CMD: endrepeat -29.8239 8.2185 4.3897 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_49.pdb protocols.relax.FastRelax: CMD: repeat 9557.66 8.58799 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9557.66 8.58799 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1668.5 8.58799 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 50.021 8.58799 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 56.2717 8.58799 0 0.02805 protocols.relax.FastRelax: CMD: min 61.1716 9.40746 5.26159 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 61.1716 9.40746 5.26159 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 366.836 9.40746 5.26159 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 46.093 9.40746 5.26159 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 49.6466 9.40746 5.26159 0.154 protocols.relax.FastRelax: CMD: min -30.2267 9.91769 6.82476 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -30.2267 9.91769 6.82476 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8791 9.91769 6.82476 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.6486 9.91769 6.82476 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.993 9.91769 6.82476 0.31955 protocols.relax.FastRelax: CMD: min -24.3816 9.90828 6.80338 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.3816 9.90828 6.80338 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.2687 9.90828 6.80338 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.3455 9.90828 6.80338 0.55 protocols.relax.FastRelax: CMD: min -23.6106 10.6721 7.59643 0.55 protocols.relax.FastRelax: MRP: 0 -23.6106 -23.6106 10.6721 7.59643 protocols.relax.FastRelax: CMD: accept_to_best -23.6106 10.6721 7.59643 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.6106 10.6721 7.59643 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -23.6106 10.6721 7.59643 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1533 10.6721 7.59643 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.5976 10.6721 7.59643 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -40.3793 10.6721 7.59643 0.02805 protocols.relax.FastRelax: CMD: min -40.5025 10.6727 7.60058 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -40.5025 10.6727 7.60058 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.1982 10.6727 7.60058 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.535 10.6727 7.60058 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.2639 10.6727 7.60058 0.154 protocols.relax.FastRelax: CMD: min -36.3489 10.6745 7.6037 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.3489 10.6745 7.6037 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.266 10.6745 7.6037 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.1618 10.6745 7.6037 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8172 10.6745 7.6037 0.31955 protocols.relax.FastRelax: CMD: min -30.8727 10.6731 7.60444 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.8727 10.6731 7.60444 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2971 10.6731 7.60444 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.3501 10.6731 7.60444 0.55 protocols.relax.FastRelax: CMD: min -30.8538 14.2546 12.6488 0.55 protocols.relax.FastRelax: MRP: 1 -30.8538 -30.8538 14.2546 12.6488 protocols.relax.FastRelax: CMD: accept_to_best -30.8538 14.2546 12.6488 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.8538 14.2546 12.6488 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.8538 14.2546 12.6488 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -44.4213 14.2546 12.6488 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.0419 14.2546 12.6488 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8539 14.2546 12.6488 0.02805 protocols.relax.FastRelax: CMD: min -52.4365 14.1547 12.6455 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.4365 14.1547 12.6455 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6309 14.1547 12.6455 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.8952 14.1547 12.6455 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.6942 14.1547 12.6455 0.154 protocols.relax.FastRelax: CMD: min -43.8686 14.3211 12.7585 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.8686 14.3211 12.7585 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.3456 14.3211 12.7585 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.3563 14.3211 12.7585 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7632 14.3211 12.7585 0.31955 protocols.relax.FastRelax: CMD: min -36.1267 14.3222 12.7578 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.1267 14.3222 12.7578 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3151 14.3222 12.7578 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 401 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.3243 14.3222 12.7578 0.55 protocols.relax.FastRelax: CMD: min -31.6763 14.2481 12.6345 0.55 protocols.relax.FastRelax: MRP: 2 -31.6763 -31.6763 14.2481 12.6345 protocols.relax.FastRelax: CMD: accept_to_best -31.6763 14.2481 12.6345 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.6763 14.2481 12.6345 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -31.6763 14.2481 12.6345 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1677 14.2481 12.6345 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.47 14.2481 12.6345 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2983 14.2481 12.6345 0.02805 protocols.relax.FastRelax: CMD: min -50.8261 14.1066 12.5445 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8261 14.1066 12.5445 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0771 14.1066 12.5445 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.6524 14.1066 12.5445 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.883 14.1066 12.5445 0.154 protocols.relax.FastRelax: CMD: min -43.9364 14.244 12.6724 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.9364 14.244 12.6724 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.1327 14.244 12.6724 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.1517 14.244 12.6724 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.6161 14.244 12.6724 0.31955 protocols.relax.FastRelax: CMD: min -36.8502 14.2541 12.6848 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.8502 14.2541 12.6848 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.0021 14.2541 12.6848 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 402 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.0022 14.2541 12.6848 0.55 protocols.relax.FastRelax: CMD: min -31.678 14.2468 12.634 0.55 protocols.relax.FastRelax: MRP: 3 -31.678 -31.678 14.2468 12.634 protocols.relax.FastRelax: CMD: accept_to_best -31.678 14.2468 12.634 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.678 14.2468 12.634 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -31.678 14.2468 12.634 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1774 14.2468 12.634 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.4661 14.2468 12.634 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2946 14.2468 12.634 0.02805 protocols.relax.FastRelax: CMD: min -52.1316 14.0969 12.5916 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -52.1316 14.0969 12.5916 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.78 14.0969 12.5916 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9593 14.0969 12.5916 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.7941 14.0969 12.5916 0.154 protocols.relax.FastRelax: CMD: min -43.9229 14.314 12.7391 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.9229 14.314 12.7391 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.6949 14.314 12.7391 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.6969 14.314 12.7391 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.127 14.314 12.7391 0.31955 protocols.relax.FastRelax: CMD: min -36.2787 14.3152 12.7415 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.2787 14.3152 12.7415 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -25.638 14.3152 12.7415 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 403 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.6269 14.3152 12.7415 0.55 protocols.relax.FastRelax: CMD: min -31.6804 14.2471 12.6345 0.55 protocols.relax.FastRelax: MRP: 4 -31.6804 -31.6804 14.2471 12.6345 protocols.relax.FastRelax: CMD: accept_to_best -31.6804 14.2471 12.6345 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.6804 14.2471 12.6345 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_33.pdb protocols.relax.FastRelax: CMD: repeat 9113.54 11.4635 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 9113.54 11.4635 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1690.97 11.4635 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 100.545 11.4635 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 111.951 11.4635 0 0.02805 protocols.relax.FastRelax: CMD: min -11.1324 9.93718 6.61288 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -11.1324 9.93718 6.61288 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 10.1067 9.93718 6.61288 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 5.50456 9.93718 6.61288 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 6.6685 9.93718 6.61288 0.154 protocols.relax.FastRelax: CMD: min -10.4808 9.73404 6.97744 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -10.4808 9.73404 6.97744 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -3.88225 9.73404 6.97744 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.61708 9.73404 6.97744 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -4.09177 9.73404 6.97744 0.31955 protocols.relax.FastRelax: CMD: min -7.76133 9.63075 6.80038 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -7.76133 9.63075 6.80038 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -0.513872 9.63075 6.80038 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -0.59823 9.63075 6.80038 0.55 protocols.relax.FastRelax: CMD: min -5.21373 9.12078 6.75761 0.55 protocols.relax.FastRelax: MRP: 0 -5.21373 -5.21373 9.12078 6.75761 protocols.relax.FastRelax: CMD: accept_to_best -5.21373 9.12078 6.75761 0.55 protocols.relax.FastRelax: CMD: endrepeat -5.21373 9.12078 6.75761 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -5.21373 9.12078 6.75761 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -17.6562 9.12078 6.75761 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.533 9.12078 6.75761 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -17.6531 9.12078 6.75761 0.02805 protocols.relax.FastRelax: CMD: min -25.4119 9.02364 7.58882 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.4119 9.02364 7.58882 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.5791 9.02364 7.58882 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.013 9.02364 7.58882 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -13.224 9.02364 7.58882 0.154 protocols.relax.FastRelax: CMD: min -18.4414 8.95555 7.5973 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.4414 8.95555 7.5973 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -12.3752 8.95555 7.5973 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.3752 8.95555 7.5973 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -11.8969 8.95555 7.5973 0.31955 protocols.relax.FastRelax: CMD: min -12.0804 8.94395 7.6129 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -12.0804 8.94395 7.6129 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.3315 8.94395 7.6129 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.33158 8.94395 7.6129 0.55 protocols.relax.FastRelax: CMD: min -8.19991 9.16092 6.92992 0.55 protocols.relax.FastRelax: MRP: 1 -8.19991 -8.19991 9.16092 6.92992 protocols.relax.FastRelax: CMD: accept_to_best -8.19991 9.16092 6.92992 0.55 protocols.relax.FastRelax: CMD: endrepeat -8.19991 9.16092 6.92992 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -8.19991 9.16092 6.92992 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -20.3257 9.16092 6.92992 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.6031 9.16092 6.92992 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -20.4405 9.16092 6.92992 0.02805 protocols.relax.FastRelax: CMD: min -25.3309 9.19321 7.23012 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.3309 9.19321 7.23012 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.4387 9.19321 7.23012 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.1279 9.19321 7.23012 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.4228 9.19321 7.23012 0.154 protocols.relax.FastRelax: CMD: min -18.9526 9.13405 7.27473 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.9526 9.13405 7.27473 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0831 9.13405 7.27473 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.0832 9.13405 7.27473 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6203 9.13405 7.27473 0.31955 protocols.relax.FastRelax: CMD: min -12.8035 9.12879 7.28102 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -12.8035 9.12879 7.28102 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -4.26927 9.12879 7.28102 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.27377 9.12879 7.28102 0.55 protocols.relax.FastRelax: CMD: min -9.0814 9.16596 6.94538 0.55 protocols.relax.FastRelax: MRP: 2 -9.0814 -9.0814 9.16596 6.94538 protocols.relax.FastRelax: CMD: accept_to_best -9.0814 9.16596 6.94538 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.0814 9.16596 6.94538 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -9.0814 9.16596 6.94538 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.0131 9.16596 6.94538 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.2474 9.16596 6.94538 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.097 9.16596 6.94538 0.02805 protocols.relax.FastRelax: CMD: min -25.6519 9.22386 7.20173 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.6519 9.22386 7.20173 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.483 9.22386 7.20173 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8329 9.22386 7.20173 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -13.0009 9.22386 7.20173 0.154 protocols.relax.FastRelax: CMD: min -19.5395 9.17262 7.25974 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -19.5395 9.17262 7.25974 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8863 9.17262 7.25974 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8871 9.17262 7.25974 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4413 9.17262 7.25974 0.31955 protocols.relax.FastRelax: CMD: min -13.6338 9.16667 7.27028 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.6338 9.16667 7.27028 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -5.44858 9.16667 7.27028 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.45302 9.16667 7.27028 0.55 protocols.relax.FastRelax: CMD: min -9.56896 9.19216 7.09335 0.55 protocols.relax.FastRelax: MRP: 3 -9.56896 -9.56896 9.19216 7.09335 protocols.relax.FastRelax: CMD: accept_to_best -9.56896 9.19216 7.09335 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.56896 9.19216 7.09335 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -9.56896 9.19216 7.09335 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5644 9.19216 7.09335 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.8071 9.19216 7.09335 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6572 9.19216 7.09335 0.02805 protocols.relax.FastRelax: CMD: min -26.1062 9.2172 7.42723 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -26.1062 9.2172 7.42723 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -6.44164 9.2172 7.42723 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.53078 9.2172 7.42723 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -6.29754 9.2172 7.42723 0.154 protocols.relax.FastRelax: CMD: min -18.5172 9.13702 7.55014 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5172 9.13702 7.55014 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -12.3752 9.13702 7.55014 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.1184 9.13702 7.55014 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -12.612 9.13702 7.55014 0.31955 protocols.relax.FastRelax: CMD: min -15.0349 9.10998 7.43631 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -15.0349 9.10998 7.43631 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.59032 9.10998 7.43631 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.59247 9.10998 7.43631 0.55 protocols.relax.FastRelax: CMD: min -9.58498 9.16824 7.07798 0.55 protocols.relax.FastRelax: MRP: 4 -9.58498 -9.58498 9.16824 7.07798 protocols.relax.FastRelax: CMD: accept_to_best -9.58498 9.16824 7.07798 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.58498 9.16824 7.07798 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_44.pdb protocols.relax.FastRelax: CMD: repeat 11644.6 10.3882 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11644.6 10.3882 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1844.36 10.3882 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 62.9642 10.3882 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 71.5361 10.3882 0 0.02805 protocols.relax.FastRelax: CMD: min -25.4917 10.5732 2.27454 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.4917 10.5732 2.27454 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 11.4233 10.5732 2.27454 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 4.38078 10.5732 2.27454 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 6.83543 10.5732 2.27454 0.154 protocols.relax.FastRelax: CMD: min -22.573 10.5628 2.48566 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -22.573 10.5628 2.48566 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6398 10.5628 2.48566 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.1253 10.5628 2.48566 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.4213 10.5628 2.48566 0.31955 protocols.relax.FastRelax: CMD: min -14.7597 10.554 2.57417 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.7597 10.554 2.57417 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -4.79407 10.554 2.57417 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.83151 10.554 2.57417 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.90735e-06 Deriv= -0.011422 Finite Diff= 0.000952488 protocols.relax.FastRelax: CMD: min -9.40819 11.0667 3.5166 0.55 protocols.relax.FastRelax: MRP: 0 -9.40819 -9.40819 11.0667 3.5166 protocols.relax.FastRelax: CMD: accept_to_best -9.40819 11.0667 3.5166 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.40819 11.0667 3.5166 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -9.40819 11.0667 3.5166 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -40.7842 11.0667 3.5166 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.4638 11.0667 3.5166 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2035 11.0667 3.5166 0.02805 protocols.relax.FastRelax: CMD: min -48.099 11.0344 3.49748 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -48.099 11.0344 3.49748 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.1576 11.0344 3.49748 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.6689 11.0344 3.49748 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.2385 11.0344 3.49748 0.154 protocols.relax.FastRelax: CMD: min -39.6663 11.088 3.54059 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.6663 11.088 3.54059 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6602 11.088 3.54059 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.9581 11.088 3.54059 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -31.3217 11.088 3.54059 0.31955 protocols.relax.FastRelax: CMD: min -33.231 11.0746 3.45056 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -33.231 11.0746 3.45056 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -23.6825 11.0746 3.45056 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.9094 11.0746 3.45056 0.55 protocols.relax.FastRelax: CMD: min -32.7312 11.1681 3.59169 0.55 protocols.relax.FastRelax: MRP: 1 -32.7312 -32.7312 11.1681 3.59169 protocols.relax.FastRelax: CMD: accept_to_best -32.7312 11.1681 3.59169 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.7312 11.1681 3.59169 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.7312 11.1681 3.59169 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -47.6741 11.1681 3.59169 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.1465 11.1681 3.59169 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -47.957 11.1681 3.59169 0.02805 protocols.relax.FastRelax: CMD: min -55.1156 11.2762 3.64 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.1156 11.2762 3.64 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.9708 11.2762 3.64 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.6636 11.2762 3.64 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7176 11.2762 3.64 0.154 protocols.relax.FastRelax: CMD: min -44.8441 11.196 3.54864 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -44.8441 11.196 3.54864 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.3794 11.196 3.54864 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.1308 11.196 3.54864 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.4319 11.196 3.54864 0.31955 protocols.relax.FastRelax: CMD: min -38.6539 11.1476 3.51586 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -38.6539 11.1476 3.51586 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5165 11.1476 3.51586 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.827 11.1476 3.51586 0.55 protocols.relax.FastRelax: CMD: min -32.61 11.1371 3.59602 0.55 protocols.relax.FastRelax: MRP: 2 -32.61 -32.7312 11.1681 3.59169 protocols.relax.FastRelax: CMD: accept_to_best -32.61 11.1371 3.59602 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.61 11.1371 3.59602 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.61 11.1371 3.59602 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8412 11.1371 3.59602 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.2746 11.1371 3.59602 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.0755 11.1371 3.59602 0.02805 protocols.relax.FastRelax: CMD: min -54.3687 11.1871 3.63058 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.3687 11.1871 3.63058 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.9718 11.1871 3.63058 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.4888 11.1871 3.63058 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2549 11.1871 3.63058 0.154 protocols.relax.FastRelax: CMD: min -45.746 11.1571 3.59819 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.746 11.1571 3.59819 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9233 11.1571 3.59819 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.571 11.1571 3.59819 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9526 11.1571 3.59819 0.31955 protocols.relax.FastRelax: CMD: min -39.027 11.1453 3.5833 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.027 11.1453 3.5833 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.0258 11.1453 3.5833 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.0807 11.1453 3.5833 0.55 protocols.relax.FastRelax: CMD: min -32.6116 11.138 3.59484 0.55 protocols.relax.FastRelax: MRP: 3 -32.6116 -32.7312 11.1681 3.59169 protocols.relax.FastRelax: CMD: accept_to_best -32.6116 11.138 3.59484 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.6116 11.138 3.59484 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.6116 11.138 3.59484 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8404 11.138 3.59484 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.2731 11.138 3.59484 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.0747 11.138 3.59484 0.02805 protocols.relax.FastRelax: CMD: min -54.368 11.1882 3.6278 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.368 11.1882 3.6278 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8974 11.1882 3.6278 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.4533 11.1882 3.6278 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.2175 11.1882 3.6278 0.154 protocols.relax.FastRelax: CMD: min -45.4656 11.1612 3.58678 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.4656 11.1612 3.58678 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.6151 11.1612 3.58678 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.1657 11.1612 3.58678 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.538 11.1612 3.58678 0.31955 protocols.relax.FastRelax: CMD: min -39.0017 11.1642 3.57605 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.0017 11.1642 3.57605 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.5824 11.1642 3.57605 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.6132 11.1642 3.57605 0.55 protocols.relax.FastRelax: CMD: min -32.6118 11.1387 3.59608 0.55 protocols.relax.FastRelax: MRP: 4 -32.6118 -32.7312 11.1681 3.59169 protocols.relax.FastRelax: CMD: accept_to_best -32.6118 11.1387 3.59608 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.6118 11.1387 3.59608 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_48.pdb protocols.relax.FastRelax: CMD: repeat 11260 9.39738 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11260 9.39738 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1768.46 9.39738 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 383 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 32.9345 9.39738 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 36.1277 9.39738 0 0.02805 protocols.relax.FastRelax: CMD: min -36.2665 9.45199 3.21058 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -36.2665 9.45199 3.21058 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -11.9027 9.45199 3.21058 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.1645 9.45199 3.21058 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -11.4821 9.45199 3.21058 0.154 protocols.relax.FastRelax: CMD: min -24.0723 9.45356 3.5673 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.0723 9.45356 3.5673 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.9008 9.45356 3.5673 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.9035 9.45356 3.5673 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.1015 9.45356 3.5673 0.31955 protocols.relax.FastRelax: CMD: min -19.1173 9.41402 3.23518 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1173 9.41402 3.23518 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.91957 9.41402 3.23518 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.92228 9.41402 3.23518 0.55 protocols.relax.FastRelax: CMD: min -13.7316 9.7005 5.12748 0.55 protocols.relax.FastRelax: MRP: 0 -13.7316 -13.7316 9.7005 5.12748 protocols.relax.FastRelax: CMD: accept_to_best -13.7316 9.7005 5.12748 0.55 protocols.relax.FastRelax: CMD: endrepeat -13.7316 9.7005 5.12748 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -13.7316 9.7005 5.12748 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8425 9.7005 5.12748 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.8149 9.7005 5.12748 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5525 9.7005 5.12748 0.02805 protocols.relax.FastRelax: CMD: min -43.9337 9.59899 4.33203 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.9337 9.59899 4.33203 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.0907 9.59899 4.33203 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.8752 9.59899 4.33203 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9545 9.59899 4.33203 0.154 protocols.relax.FastRelax: CMD: min -33.359 9.69075 4.31643 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.359 9.69075 4.31643 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.6283 9.69075 4.31643 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.6283 9.69075 4.31643 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.861 9.69075 4.31643 0.31955 protocols.relax.FastRelax: CMD: min -25.674 9.73484 4.30103 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.674 9.73484 4.30103 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.6599 9.73484 4.30103 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.67 9.73484 4.30103 0.55 protocols.relax.FastRelax: CMD: min -19.1739 9.81603 4.47763 0.55 protocols.relax.FastRelax: MRP: 1 -19.1739 -19.1739 9.81603 4.47763 protocols.relax.FastRelax: CMD: accept_to_best -19.1739 9.81603 4.47763 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.1739 9.81603 4.47763 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1739 9.81603 4.47763 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2149 9.81603 4.47763 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.1948 9.81603 4.47763 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9246 9.81603 4.47763 0.02805 protocols.relax.FastRelax: CMD: min -39.0689 9.85742 4.47749 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.0689 9.85742 4.47749 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.183 9.85742 4.47749 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.9011 9.85742 4.47749 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.8251 9.85742 4.47749 0.154 protocols.relax.FastRelax: CMD: min -32.5433 9.82915 4.3058 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -32.5433 9.82915 4.3058 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.879 9.82915 4.3058 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.8804 9.82915 4.3058 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2762 9.82915 4.3058 0.31955 protocols.relax.FastRelax: CMD: min -25.5955 9.82437 4.37978 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.5955 9.82437 4.37978 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -16.5802 9.82437 4.37978 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.5824 9.82437 4.37978 0.55 protocols.relax.FastRelax: CMD: min -19.1747 9.81495 4.47487 0.55 protocols.relax.FastRelax: MRP: 2 -19.1747 -19.1747 9.81495 4.47487 protocols.relax.FastRelax: CMD: accept_to_best -19.1747 9.81495 4.47487 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.1747 9.81495 4.47487 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1747 9.81495 4.47487 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2484 9.81495 4.47487 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2041 9.81495 4.47487 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9361 9.81495 4.47487 0.02805 protocols.relax.FastRelax: CMD: min -39.177 9.85749 4.47558 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.177 9.85749 4.47558 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3045 9.85749 4.47558 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.0157 9.85749 4.47558 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.9402 9.85749 4.47558 0.154 protocols.relax.FastRelax: CMD: min -32.5932 9.83329 4.22381 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -32.5932 9.83329 4.22381 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7877 9.83329 4.22381 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.7899 9.83329 4.22381 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.1748 9.83329 4.22381 0.31955 protocols.relax.FastRelax: CMD: min -24.7485 9.83073 4.24437 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.7485 9.83073 4.24437 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.831 9.83073 4.24437 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.8328 9.83073 4.24437 0.55 protocols.relax.FastRelax: CMD: min -19.1747 9.81547 4.47568 0.55 protocols.relax.FastRelax: MRP: 3 -19.1747 -19.1747 9.81547 4.47568 protocols.relax.FastRelax: CMD: accept_to_best -19.1747 9.81547 4.47568 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.1747 9.81547 4.47568 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1747 9.81547 4.47568 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.2463 9.81547 4.47568 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2014 9.81547 4.47568 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9331 9.81547 4.47568 0.02805 protocols.relax.FastRelax: CMD: min -39.1552 9.85769 4.47629 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -39.1552 9.85769 4.47629 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3613 9.85769 4.47629 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.0645 9.85769 4.47629 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.994 9.85769 4.47629 0.154 protocols.relax.FastRelax: CMD: min -32.6212 9.83386 4.24116 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -32.6212 9.83386 4.24116 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.8173 9.83386 4.24116 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.8195 9.83386 4.24116 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.2045 9.83386 4.24116 0.31955 protocols.relax.FastRelax: CMD: min -25.4516 9.82514 4.33602 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.4516 9.82514 4.33602 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.8482 9.82514 4.33602 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.8482 9.82514 4.33602 0.55 protocols.relax.FastRelax: CMD: min -19.1749 9.81587 4.47526 0.55 protocols.relax.FastRelax: MRP: 4 -19.1749 -19.1749 9.81587 4.47526 protocols.relax.FastRelax: CMD: accept_to_best -19.1749 9.81587 4.47526 0.55 protocols.relax.FastRelax: CMD: endrepeat -19.1749 9.81587 4.47526 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_21.pdb protocols.relax.FastRelax: CMD: repeat 10443 9.41321 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10443 9.41321 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1900.34 9.41321 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 54.4586 9.41321 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 56.536 9.41321 0 0.02805 protocols.relax.FastRelax: CMD: min -7.10212 10.4251 3.93475 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -7.10212 10.4251 3.93475 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 44.0904 10.4251 3.93475 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.89902 10.4251 3.93475 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -4.49981 10.4251 3.93475 0.154 protocols.relax.FastRelax: CMD: min -24.9048 10.4022 4.54628 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -24.9048 10.4022 4.54628 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -15.6135 10.4022 4.54628 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.9494 10.4022 4.54628 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -15.2206 10.4022 4.54628 0.31955 protocols.relax.FastRelax: CMD: min -18.0646 10.3861 4.48258 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.0646 10.3861 4.48258 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.74891 10.3861 4.48258 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.75699 10.3861 4.48258 0.55 protocols.relax.FastRelax: CMD: min -15.2938 10.4659 4.6739 0.55 protocols.relax.FastRelax: MRP: 0 -15.2938 -15.2938 10.4659 4.6739 protocols.relax.FastRelax: CMD: accept_to_best -15.2938 10.4659 4.6739 0.55 protocols.relax.FastRelax: CMD: endrepeat -15.2938 10.4659 4.6739 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -15.2938 10.4659 4.6739 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2729 10.4659 4.6739 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 461 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.6147 10.4659 4.6739 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -31.6848 10.4659 4.6739 0.02805 protocols.relax.FastRelax: CMD: min -43.1324 10.4232 4.49948 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -43.1324 10.4232 4.49948 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -22.5135 10.4232 4.49948 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.5483 10.4232 4.49948 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.1051 10.4232 4.49948 0.154 protocols.relax.FastRelax: CMD: min -33.611 10.4543 4.53015 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.611 10.4543 4.53015 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.5337 10.4543 4.53015 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.5782 10.4543 4.53015 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9441 10.4543 4.53015 0.31955 protocols.relax.FastRelax: CMD: min -26.6774 10.4377 4.45785 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.6774 10.4377 4.45785 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.2227 10.4377 4.45785 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.2692 10.4377 4.45785 0.55 protocols.relax.FastRelax: CMD: min -30.3135 10.2417 4.11639 0.55 protocols.relax.FastRelax: MRP: 1 -30.3135 -30.3135 10.2417 4.11639 protocols.relax.FastRelax: CMD: accept_to_best -30.3135 10.2417 4.11639 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.3135 10.2417 4.11639 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.3135 10.2417 4.11639 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7379 10.2417 4.11639 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4819 10.2417 4.11639 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2811 10.2417 4.11639 0.02805 protocols.relax.FastRelax: CMD: min -55.7156 10.2153 4.26634 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.7156 10.2153 4.26634 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8145 10.2153 4.26634 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 405 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.0656 10.2153 4.26634 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8063 10.2153 4.26634 0.154 protocols.relax.FastRelax: CMD: min -46.2059 10.1766 4.17313 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.2059 10.1766 4.17313 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.3583 10.1766 4.17313 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 392 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.6782 10.1766 4.17313 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9825 10.1766 4.17313 0.31955 protocols.relax.FastRelax: CMD: min -36.6743 10.1639 4.1659 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -36.6743 10.1639 4.1659 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.5648 10.1639 4.1659 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 391 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.6074 10.1639 4.1659 0.55 protocols.relax.FastRelax: CMD: min -31.7725 10.0668 3.90648 0.55 protocols.relax.FastRelax: MRP: 2 -31.7725 -31.7725 10.0668 3.90648 protocols.relax.FastRelax: CMD: accept_to_best -31.7725 10.0668 3.90648 0.55 protocols.relax.FastRelax: CMD: endrepeat -31.7725 10.0668 3.90648 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -31.7725 10.0668 3.90648 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9349 10.0668 3.90648 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.0905 10.0668 3.90648 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -47.8947 10.0668 3.90648 0.02805 protocols.relax.FastRelax: CMD: min -54.7295 10.0884 4.02282 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.7295 10.0884 4.02282 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1883 10.0884 4.02282 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 396 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.5418 10.0884 4.02282 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.905 10.0884 4.02282 0.154 protocols.relax.FastRelax: CMD: min -46.1849 10.0662 4.01124 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.1849 10.0662 4.01124 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5257 10.0662 4.01124 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 386 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.5258 10.0662 4.01124 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7642 10.0662 4.01124 0.31955 protocols.relax.FastRelax: CMD: min -39.0429 10.0845 3.98205 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.0429 10.0845 3.98205 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2106 10.0845 3.98205 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 387 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.2296 10.0845 3.98205 0.55 protocols.relax.FastRelax: CMD: min -32.0133 10.0568 3.89972 0.55 protocols.relax.FastRelax: MRP: 3 -32.0133 -32.0133 10.0568 3.89972 protocols.relax.FastRelax: CMD: accept_to_best -32.0133 10.0568 3.89972 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.0133 10.0568 3.89972 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.0133 10.0568 3.89972 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -48.291 10.0568 3.89972 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 425 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.3917 10.0568 3.89972 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.2024 10.0568 3.89972 0.02805 protocols.relax.FastRelax: CMD: min -54.8487 10.0759 4.00874 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.8487 10.0759 4.00874 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.8553 10.0759 4.00874 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 398 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.9393 10.0759 4.00874 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3117 10.0759 4.00874 0.154 protocols.relax.FastRelax: CMD: min -46.5401 10.0477 3.99837 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -46.5401 10.0477 3.99837 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9109 10.0477 3.99837 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 387 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9111 10.0477 3.99837 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -36.1518 10.0477 3.99837 0.31955 protocols.relax.FastRelax: CMD: min -39.6758 10.0433 3.92134 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.6758 10.0433 3.92134 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2913 10.0433 3.92134 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 387 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.3036 10.0433 3.92134 0.55 protocols.relax.FastRelax: CMD: min -32.013 10.0571 3.90147 0.55 protocols.relax.FastRelax: MRP: 4 -32.013 -32.0133 10.0568 3.89972 protocols.relax.FastRelax: CMD: accept_to_best -32.013 10.0571 3.90147 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.013 10.0571 3.90147 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_28.pdb protocols.relax.FastRelax: CMD: repeat 11534.3 7.53904 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11534.3 7.53904 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1898.86 7.53904 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 390 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 47.7505 7.53904 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 51.6352 7.53904 0 0.02805 protocols.relax.FastRelax: CMD: min 51.5078 7.53788 0.00387774 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 51.5078 7.53788 0.00387774 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 126.689 7.53788 0.00387774 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 357 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 104.983 7.53788 0.00387774 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 108.495 7.53788 0.00387774 0.154 protocols.relax.FastRelax: CMD: min -12.3877 9.2734 3.63291 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -12.3877 9.2734 3.63291 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -4.88403 9.2734 3.63291 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.48896 9.2734 3.63291 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -4.8872 9.2734 3.63291 0.31955 protocols.relax.FastRelax: CMD: min -10.8874 8.77837 3.93636 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -10.8874 8.77837 3.93636 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -3.83235 8.77837 3.93636 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 416 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.85702 8.77837 3.93636 0.55 protocols.relax.FastRelax: CMD: min -9.40813 8.16916 4.37851 0.55 protocols.relax.FastRelax: MRP: 0 -9.40813 -9.40813 8.16916 4.37851 protocols.relax.FastRelax: CMD: accept_to_best -9.40813 8.16916 4.37851 0.55 protocols.relax.FastRelax: CMD: endrepeat -9.40813 8.16916 4.37851 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -9.40813 8.16916 4.37851 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3106 8.16916 4.37851 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.2711 8.16916 4.37851 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -25.7825 8.16916 4.37851 0.02805 protocols.relax.FastRelax: CMD: min -25.8 8.17036 4.3797 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.8 8.17036 4.3797 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.3053 8.17036 4.3797 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.1954 8.17036 4.3797 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.8437 8.17036 4.3797 0.154 protocols.relax.FastRelax: CMD: min -20.0667 8.17321 4.38371 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -20.0667 8.17321 4.38371 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.7209 8.17321 4.38371 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.5848 8.17321 4.38371 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.2009 8.17321 4.38371 0.31955 protocols.relax.FastRelax: CMD: min -14.2144 8.1737 4.38428 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.2144 8.1737 4.38428 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -6.90472 8.1737 4.38428 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.90472 8.1737 4.38428 0.55 protocols.relax.FastRelax: CMD: min -12.6102 7.90595 4.82539 0.55 protocols.relax.FastRelax: MRP: 1 -12.6102 -12.6102 7.90595 4.82539 protocols.relax.FastRelax: CMD: accept_to_best -12.6102 7.90595 4.82539 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.6102 7.90595 4.82539 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.6102 7.90595 4.82539 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -25.142 7.90595 4.82539 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.6487 7.90595 4.82539 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -27.135 7.90595 4.82539 0.02805 protocols.relax.FastRelax: CMD: min -27.1535 7.90659 4.82651 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -27.1535 7.90659 4.82651 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.1774 7.90659 4.82651 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7868 7.90659 4.82651 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5724 7.90659 4.82651 0.154 protocols.relax.FastRelax: CMD: min -21.5834 7.90701 4.82701 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -21.5834 7.90701 4.82701 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.5927 7.90701 4.82701 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.5927 7.90701 4.82701 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.278 7.90701 4.82701 0.31955 protocols.relax.FastRelax: CMD: min -17.2836 7.90719 4.82716 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.2836 7.90719 4.82716 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.2879 7.90719 4.82716 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.2879 7.90719 4.82716 0.55 protocols.relax.FastRelax: CMD: min -12.612 7.912 4.83468 0.55 protocols.relax.FastRelax: MRP: 2 -12.612 -12.612 7.912 4.83468 protocols.relax.FastRelax: CMD: accept_to_best -12.612 7.912 4.83468 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.612 7.912 4.83468 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.612 7.912 4.83468 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0737 7.912 4.83468 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5957 7.912 4.83468 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -27.0903 7.912 4.83468 0.02805 protocols.relax.FastRelax: CMD: min -27.1087 7.91264 4.83581 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -27.1087 7.91264 4.83581 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2932 7.91264 4.83581 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7399 7.91264 4.83581 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5266 7.91264 4.83581 0.154 protocols.relax.FastRelax: CMD: min -21.5376 7.91307 4.83631 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -21.5376 7.91307 4.83631 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.5673 7.91307 4.83631 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.5673 7.91307 4.83631 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2542 7.91307 4.83631 0.31955 protocols.relax.FastRelax: CMD: min -17.2598 7.91325 4.83646 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.2598 7.91325 4.83646 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.2948 7.91325 4.83646 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.2948 7.91325 4.83646 0.55 protocols.relax.FastRelax: CMD: min -12.612 7.91094 4.83477 0.55 protocols.relax.FastRelax: MRP: 3 -12.612 -12.612 7.912 4.83468 protocols.relax.FastRelax: CMD: accept_to_best -12.612 7.91094 4.83477 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.612 7.91094 4.83477 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -12.612 7.91094 4.83477 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0374 7.91094 4.83477 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5563 7.91094 4.83477 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -27.0514 7.91094 4.83477 0.02805 protocols.relax.FastRelax: CMD: min -27.0696 7.91157 4.83589 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -27.0696 7.91157 4.83589 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.2634 7.91157 4.83589 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.7133 7.91157 4.83589 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5008 7.91157 4.83589 0.154 protocols.relax.FastRelax: CMD: min -21.5117 7.91199 4.83639 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -21.5117 7.91199 4.83639 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -17.556 7.91199 4.83639 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.556 7.91199 4.83639 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.244 7.91199 4.83639 0.31955 protocols.relax.FastRelax: CMD: min -17.2496 7.91216 4.83654 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -17.2496 7.91216 4.83654 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.3065 7.91216 4.83654 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.3065 7.91216 4.83654 0.55 protocols.relax.FastRelax: CMD: min -12.6137 7.91605 4.83926 0.55 protocols.relax.FastRelax: MRP: 4 -12.6137 -12.6137 7.91605 4.83926 protocols.relax.FastRelax: CMD: accept_to_best -12.6137 7.91605 4.83926 0.55 protocols.relax.FastRelax: CMD: endrepeat -12.6137 7.91605 4.83926 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_22.pdb protocols.relax.FastRelax: CMD: repeat 11560.4 5.71987 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11560.4 5.71987 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1785.14 5.71987 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 399 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 39.7929 5.71987 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 42.5014 5.71987 0 0.02805 protocols.relax.FastRelax: CMD: min 42.396 5.72029 0.00995922 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 42.396 5.72029 0.00995922 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 94.7494 5.72029 0.00995922 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 388 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 76.5053 5.72029 0.00995922 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 78.7301 5.72029 0.00995922 0.154 protocols.relax.FastRelax: CMD: min 5.31039 12.3492 10.6745 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 5.31039 12.3492 10.6745 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 13.1389 12.3492 10.6745 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.96049 12.3492 10.6745 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 9.54081 12.3492 10.6745 0.31955 protocols.relax.FastRelax: CMD: min -7.7918 8.13658 5.69881 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -7.7918 8.13658 5.69881 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -1.15415 8.13658 5.69881 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 410 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -1.3119 8.13658 5.69881 0.55 protocols.relax.FastRelax: CMD: min -7.62482 8.62642 6.48996 0.55 protocols.relax.FastRelax: MRP: 0 -7.62482 -7.62482 8.62642 6.48996 protocols.relax.FastRelax: CMD: accept_to_best -7.62482 8.62642 6.48996 0.55 protocols.relax.FastRelax: CMD: endrepeat -7.62482 8.62642 6.48996 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -7.62482 8.62642 6.48996 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -19.5339 8.62642 6.48996 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.2231 8.62642 6.48996 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9613 8.62642 6.48996 0.02805 protocols.relax.FastRelax: CMD: min -22.0005 8.629 6.49104 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.0005 8.629 6.49104 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.9085 8.629 6.49104 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.4412 8.629 6.49104 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -18.1902 8.629 6.49104 0.154 protocols.relax.FastRelax: CMD: min -18.2171 8.63158 6.49287 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.2171 8.63158 6.49287 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.5497 8.63158 6.49287 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.1246 8.63158 6.49287 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8279 8.63158 6.49287 0.31955 protocols.relax.FastRelax: CMD: min -13.8346 8.63235 6.49316 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -13.8346 8.63235 6.49316 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.1828 8.63235 6.49316 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.18288 8.63235 6.49316 0.55 protocols.relax.FastRelax: CMD: min -10.4155 8.45638 6.22964 0.55 protocols.relax.FastRelax: MRP: 1 -10.4155 -10.4155 8.45638 6.22964 protocols.relax.FastRelax: CMD: accept_to_best -10.4155 8.45638 6.22964 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.4155 8.45638 6.22964 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -10.4155 8.45638 6.22964 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1371 8.45638 6.22964 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.0753 8.45638 6.22964 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5091 8.45638 6.22964 0.02805 protocols.relax.FastRelax: CMD: min -18.5513 8.45926 6.2319 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -18.5513 8.45926 6.2319 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -7.55259 8.45926 6.2319 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.374 8.45926 6.2319 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.1139 8.45926 6.2319 0.154 protocols.relax.FastRelax: CMD: min -19.1358 8.46185 6.23416 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -19.1358 8.46185 6.23416 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.3018 8.46185 6.23416 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 422 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.0245 8.46185 6.23416 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.721 8.46185 6.23416 0.31955 protocols.relax.FastRelax: CMD: min -14.7267 8.46265 6.23531 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.7267 8.46265 6.23531 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.95007 8.46265 6.23531 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.95021 8.46265 6.23531 0.55 protocols.relax.FastRelax: CMD: min -10.4274 8.43955 6.2014 0.55 protocols.relax.FastRelax: MRP: 2 -10.4274 -10.4274 8.43955 6.2014 protocols.relax.FastRelax: CMD: accept_to_best -10.4274 8.43955 6.2014 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.4274 8.43955 6.2014 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -10.4274 8.43955 6.2014 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1662 8.43955 6.2014 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.5669 8.43955 6.2014 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -23.2995 8.43955 6.2014 0.02805 protocols.relax.FastRelax: CMD: min -23.3335 8.44162 6.20186 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -23.3335 8.44162 6.20186 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.1301 8.44162 6.20186 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.6435 8.44162 6.20186 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.3831 8.44162 6.20186 0.154 protocols.relax.FastRelax: CMD: min -19.4051 8.44376 6.20354 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -19.4051 8.44376 6.20354 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.5666 8.44376 6.20354 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2687 8.44376 6.20354 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9636 8.44376 6.20354 0.31955 protocols.relax.FastRelax: CMD: min -14.9701 8.44401 6.20401 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.9701 8.44401 6.20401 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.16454 8.44401 6.20401 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.16464 8.44401 6.20401 0.55 protocols.relax.FastRelax: CMD: min -10.4295 8.43617 6.19389 0.55 protocols.relax.FastRelax: MRP: 3 -10.4295 -10.4295 8.43617 6.19389 protocols.relax.FastRelax: CMD: accept_to_best -10.4295 8.43617 6.19389 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.4295 8.43617 6.19389 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -10.4295 8.43617 6.19389 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1754 8.43617 6.19389 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.5766 8.43617 6.19389 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -23.3077 8.43617 6.19389 0.02805 protocols.relax.FastRelax: CMD: min -23.3417 8.43824 6.19434 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -23.3417 8.43824 6.19434 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.1078 8.43824 6.19434 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 435 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.6493 8.43824 6.19434 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.3883 8.43824 6.19434 0.154 protocols.relax.FastRelax: CMD: min -19.4103 8.44038 6.19602 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -19.4103 8.44038 6.19602 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -14.5594 8.44038 6.19602 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.2676 8.44038 6.19602 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.9616 8.44038 6.19602 0.31955 protocols.relax.FastRelax: CMD: min -14.9684 8.4406 6.19649 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.9684 8.4406 6.19649 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.14708 8.4406 6.19649 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.14722 8.4406 6.19649 0.55 protocols.relax.FastRelax: CMD: min -10.4303 8.4331 6.18684 0.55 protocols.relax.FastRelax: MRP: 4 -10.4303 -10.4303 8.4331 6.18684 protocols.relax.FastRelax: CMD: accept_to_best -10.4303 8.4331 6.18684 0.55 protocols.relax.FastRelax: CMD: endrepeat -10.4303 8.4331 6.18684 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_36.pdb protocols.relax.FastRelax: CMD: repeat 13354.4 4.95381 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13354.4 4.95381 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1940.28 4.95381 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 409 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 37.7071 4.95381 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 41.1095 4.95381 0 0.02805 protocols.relax.FastRelax: CMD: min -29.6252 6.71054 5.20437 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6252 6.71054 5.20437 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.8109 6.71054 5.20437 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.529 6.71054 5.20437 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -14.5512 6.71054 5.20437 0.154 protocols.relax.FastRelax: CMD: min -29.1881 8.06133 7.69009 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.1881 8.06133 7.69009 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9635 8.06133 7.69009 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.7033 8.06133 7.69009 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1354 8.06133 7.69009 0.31955 protocols.relax.FastRelax: CMD: min -22.1516 8.06172 7.69054 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -22.1516 8.06172 7.69054 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.3535 8.06172 7.69054 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.3602 8.06172 7.69054 0.55 protocols.relax.FastRelax: CMD: min -20.5699 9.12946 9.05048 0.55 protocols.relax.FastRelax: MRP: 0 -20.5699 -20.5699 9.12946 9.05048 protocols.relax.FastRelax: CMD: accept_to_best -20.5699 9.12946 9.05048 0.55 protocols.relax.FastRelax: CMD: endrepeat -20.5699 9.12946 9.05048 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -20.5699 9.12946 9.05048 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9747 9.12946 9.05048 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.3127 9.12946 9.05048 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.0676 9.12946 9.05048 0.02805 protocols.relax.FastRelax: CMD: min -37.084 9.13048 9.05168 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.084 9.13048 9.05168 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.3076 9.13048 9.05168 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.7496 9.13048 9.05168 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4789 9.13048 9.05168 0.154 protocols.relax.FastRelax: CMD: min -32.4874 9.13114 9.05245 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -32.4874 9.13114 9.05245 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -27.4511 9.13114 9.05245 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4511 9.13114 9.05245 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.054 9.13114 9.05245 0.31955 protocols.relax.FastRelax: CMD: min -27.0686 9.13117 9.05246 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.0686 9.13117 9.05246 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.5161 9.13117 9.05246 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.5281 9.13117 9.05246 0.55 protocols.relax.FastRelax: CMD: min -22.2804 9.02602 8.87108 0.55 protocols.relax.FastRelax: MRP: 1 -22.2804 -22.2804 9.02602 8.87108 protocols.relax.FastRelax: CMD: accept_to_best -22.2804 9.02602 8.87108 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.2804 9.02602 8.87108 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.2804 9.02602 8.87108 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5206 9.02602 8.87108 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.782 9.02602 8.87108 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5397 9.02602 8.87108 0.02805 protocols.relax.FastRelax: CMD: min -37.5559 9.02702 8.87231 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.5559 9.02702 8.87231 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8354 9.02702 8.87231 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.2757 9.02702 8.87231 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0086 9.02702 8.87231 0.154 protocols.relax.FastRelax: CMD: min -33.0169 9.02768 8.87311 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.0169 9.02768 8.87311 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0492 9.02768 8.87311 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0492 9.02768 8.87311 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.6575 9.02768 8.87311 0.31955 protocols.relax.FastRelax: CMD: min -27.6722 9.02773 8.87317 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.6722 9.02773 8.87317 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.223 9.02773 8.87317 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.2338 9.02773 8.87317 0.55 protocols.relax.FastRelax: CMD: min -22.2808 9.07169 8.92463 0.55 protocols.relax.FastRelax: MRP: 2 -22.2808 -22.2808 9.07169 8.92463 protocols.relax.FastRelax: CMD: accept_to_best -22.2808 9.07169 8.92463 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.2808 9.07169 8.92463 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.2808 9.07169 8.92463 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5155 9.07169 8.92463 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.7851 9.07169 8.92463 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5433 9.07169 8.92463 0.02805 protocols.relax.FastRelax: CMD: min -37.5596 9.07268 8.92585 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.5596 9.07268 8.92585 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8489 9.07268 8.92585 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.2892 9.07268 8.92585 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0231 9.07268 8.92585 0.154 protocols.relax.FastRelax: CMD: min -33.0312 9.07334 8.92664 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.0312 9.07334 8.92664 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.08 9.07334 8.92664 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.08 9.07334 8.92664 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.6896 9.07334 8.92664 0.31955 protocols.relax.FastRelax: CMD: min -27.7033 9.07339 8.9267 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.7033 9.07339 8.9267 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2779 9.07339 8.9267 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.2962 9.07339 8.9267 0.55 protocols.relax.FastRelax: CMD: min -22.2806 9.07789 8.93205 0.55 protocols.relax.FastRelax: MRP: 3 -22.2806 -22.2808 9.07169 8.92463 protocols.relax.FastRelax: CMD: accept_to_best -22.2806 9.07789 8.93205 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.2806 9.07789 8.93205 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.2806 9.07789 8.93205 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.5172 9.07789 8.93205 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 445 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.7852 9.07789 8.93205 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.5434 9.07789 8.93205 0.02805 protocols.relax.FastRelax: CMD: min -37.5598 9.07888 8.93326 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -37.5598 9.07888 8.93326 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.8508 9.07888 8.93326 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.2927 9.07888 8.93326 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -33.0267 9.07888 8.93326 0.154 protocols.relax.FastRelax: CMD: min -33.0348 9.07954 8.93407 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.0348 9.07954 8.93407 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0861 9.07954 8.93407 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0861 9.07954 8.93407 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.6959 9.07954 8.93407 0.31955 protocols.relax.FastRelax: CMD: min -27.7094 9.0796 8.93414 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.7094 9.0796 8.93414 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2876 9.0796 8.93414 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.3092 9.0796 8.93414 0.55 protocols.relax.FastRelax: CMD: min -22.2811 9.07565 8.9294 0.55 protocols.relax.FastRelax: MRP: 4 -22.2811 -22.2811 9.07565 8.9294 protocols.relax.FastRelax: CMD: accept_to_best -22.2811 9.07565 8.9294 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.2811 9.07565 8.9294 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_14.pdb protocols.relax.FastRelax: CMD: repeat 11361.5 8.4516 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11361.5 8.4516 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1810.43 8.4516 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 375 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 65.152 8.4516 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 72.8204 8.4516 0 0.02805 protocols.relax.FastRelax: CMD: min -27.5141 9.24908 5.66786 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -27.5141 9.24908 5.66786 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -0.0622922 9.24908 5.66786 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.36476 9.24908 5.66786 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -2.76421 9.24908 5.66786 0.154 protocols.relax.FastRelax: CMD: min -22.5915 9.56884 6.14967 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -22.5915 9.56884 6.14967 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -13.7152 9.56884 6.14967 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.6911 9.56884 6.14967 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -14.0371 9.56884 6.14967 0.31955 protocols.relax.FastRelax: CMD: min -14.0817 9.57024 6.1517 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -14.0817 9.57024 6.1517 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -1.68023 9.57024 6.1517 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -1.42888 9.57024 6.1517 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.90735e-06 Deriv= -0.0138689 Finite Diff= 0.0168039 protocols.relax.FastRelax: CMD: min -15.8637 8.88508 6.00998 0.55 protocols.relax.FastRelax: MRP: 0 -15.8637 -15.8637 8.88508 6.00998 protocols.relax.FastRelax: CMD: accept_to_best -15.8637 8.88508 6.00998 0.55 protocols.relax.FastRelax: CMD: endrepeat -15.8637 8.88508 6.00998 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -15.8637 8.88508 6.00998 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1273 8.88508 6.00998 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.9047 8.88508 6.00998 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4545 8.88508 6.00998 0.02805 protocols.relax.FastRelax: CMD: min -32.5034 8.88386 6.00821 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -32.5034 8.88386 6.00821 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -23.7717 8.88386 6.00821 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.1306 8.88386 6.00821 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.8213 8.88386 6.00821 0.154 protocols.relax.FastRelax: CMD: min -27.8595 8.88279 6.0062 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -27.8595 8.88279 6.0062 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1026 8.88279 6.0062 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.1027 8.88279 6.0062 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6487 8.88279 6.0062 0.31955 protocols.relax.FastRelax: CMD: min -21.7052 8.88134 6.00374 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -21.7052 8.88134 6.00374 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.09 8.88134 6.00374 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.09 8.88134 6.00374 0.55 protocols.relax.FastRelax: CMD: min -23.5522 9.35202 6.85014 0.55 protocols.relax.FastRelax: MRP: 1 -23.5522 -23.5522 9.35202 6.85014 protocols.relax.FastRelax: CMD: accept_to_best -23.5522 9.35202 6.85014 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.5522 9.35202 6.85014 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -23.5522 9.35202 6.85014 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9496 9.35202 6.85014 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.3157 9.35202 6.85014 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -38.9105 9.35202 6.85014 0.02805 protocols.relax.FastRelax: CMD: min -46.2454 9.50923 7.013 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -46.2454 9.50923 7.013 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.2885 9.50923 7.013 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.3492 9.50923 7.013 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.2878 9.50923 7.013 0.154 protocols.relax.FastRelax: CMD: min -34.0579 9.51994 6.97676 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -34.0579 9.51994 6.97676 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0263 9.51994 6.97676 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.995 9.51994 6.97676 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.3693 9.51994 6.97676 0.31955 protocols.relax.FastRelax: CMD: min -25.5454 9.53031 6.99158 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.5454 9.53031 6.99158 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.9111 9.53031 6.99158 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.9112 9.53031 6.99158 0.55 protocols.relax.FastRelax: CMD: min -22.9092 9.45021 6.80033 0.55 protocols.relax.FastRelax: MRP: 2 -22.9092 -23.5522 9.35202 6.85014 protocols.relax.FastRelax: CMD: accept_to_best -22.9092 9.45021 6.80033 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.9092 9.45021 6.80033 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.9092 9.45021 6.80033 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7093 9.45021 6.80033 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 450 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.6981 9.45021 6.80033 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9779 9.45021 6.80033 0.02805 protocols.relax.FastRelax: CMD: min -51.4475 9.69261 7.01803 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -51.4475 9.69261 7.01803 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.8609 9.69261 7.01803 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.4273 9.69261 7.01803 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9298 9.69261 7.01803 0.154 protocols.relax.FastRelax: CMD: min -36.3225 9.68179 6.95436 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.3225 9.68179 6.95436 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7751 9.68179 6.95436 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.8668 9.68179 6.95436 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.0268 9.68179 6.95436 0.31955 protocols.relax.FastRelax: CMD: min -30.27 9.63496 6.85383 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.27 9.63496 6.85383 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5194 9.63496 6.85383 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.5194 9.63496 6.85383 0.55 protocols.relax.FastRelax: CMD: min -23.3285 9.56096 6.6434 0.55 protocols.relax.FastRelax: MRP: 3 -23.3285 -23.5522 9.35202 6.85014 protocols.relax.FastRelax: CMD: accept_to_best -23.3285 9.56096 6.6434 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.3285 9.56096 6.6434 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -23.3285 9.56096 6.6434 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -38.5968 9.56096 6.6434 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.4521 9.56096 6.6434 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.2441 9.56096 6.6434 0.02805 protocols.relax.FastRelax: CMD: min -47.7222 9.71631 6.71889 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.7222 9.71631 6.71889 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6178 9.71631 6.71889 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.0383 9.71631 6.71889 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.7343 9.71631 6.71889 0.154 protocols.relax.FastRelax: CMD: min -37.0806 9.62611 6.61329 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -37.0806 9.62611 6.61329 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -27.1094 9.62611 6.61329 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.1108 9.62611 6.61329 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -26.3246 9.62611 6.61329 0.31955 protocols.relax.FastRelax: CMD: min -26.8441 9.62674 6.61878 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.8441 9.62674 6.61878 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.1193 9.62674 6.61878 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.1222 9.62674 6.61878 0.55 protocols.relax.FastRelax: CMD: min -23.3306 9.59172 6.68663 0.55 protocols.relax.FastRelax: MRP: 4 -23.3306 -23.5522 9.35202 6.85014 protocols.relax.FastRelax: CMD: accept_to_best -23.3306 9.59172 6.68663 0.55 protocols.relax.FastRelax: CMD: endrepeat -23.3306 9.59172 6.68663 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_37.pdb protocols.relax.FastRelax: CMD: repeat 8837.91 9.37242 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 8837.91 9.37242 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1702.71 9.37242 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 404 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 59.0154 9.37242 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 61.0391 9.37242 0 0.02805 protocols.relax.FastRelax: CMD: min 60.9888 9.37067 0.00642904 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 60.9888 9.37067 0.00642904 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 100.286 9.37067 0.00642904 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 377 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 100.693 9.37067 0.00642904 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 103.364 9.37067 0.00642904 0.154 protocols.relax.FastRelax: CMD: min 283.149 9.19439 3.90747 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight 283.149 9.19439 3.90747 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep 575.857 9.19439 3.90747 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 15.8473 9.19439 3.90747 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep 17.0965 9.19439 3.90747 0.31955 protocols.relax.FastRelax: CMD: min -16.4764 9.65747 4.7393 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -16.4764 9.65747 4.7393 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -8.91819 9.65747 4.7393 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.91652 9.65747 4.7393 0.55 protocols.relax.FastRelax: CMD: min -16.3921 9.44537 4.66662 0.55 protocols.relax.FastRelax: MRP: 0 -16.3921 -16.3921 9.44537 4.66662 protocols.relax.FastRelax: CMD: accept_to_best -16.3921 9.44537 4.66662 0.55 protocols.relax.FastRelax: CMD: endrepeat -16.3921 9.44537 4.66662 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -16.3921 9.44537 4.66662 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -29.0655 9.44537 4.66662 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.7775 9.44537 4.66662 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4969 9.44537 4.66662 0.02805 protocols.relax.FastRelax: CMD: min -47.4422 9.52159 4.63914 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.4422 9.52159 4.63914 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.8464 9.52159 4.63914 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.1262 9.52159 4.63914 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.1151 9.52159 4.63914 0.154 protocols.relax.FastRelax: CMD: min -33.0209 9.40588 4.52429 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.0209 9.40588 4.52429 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5666 9.40588 4.52429 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.7001 9.40588 4.52429 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -22.9553 9.40588 4.52429 0.31955 protocols.relax.FastRelax: CMD: min -24.0562 9.36994 4.49176 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -24.0562 9.36994 4.49176 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.3595 9.36994 4.49176 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.5921 9.36994 4.49176 0.55 protocols.relax.FastRelax: CMD: min -22.0386 9.34078 4.48048 0.55 protocols.relax.FastRelax: MRP: 1 -22.0386 -22.0386 9.34078 4.48048 protocols.relax.FastRelax: CMD: accept_to_best -22.0386 9.34078 4.48048 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.0386 9.34078 4.48048 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.0386 9.34078 4.48048 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.6412 9.34078 4.48048 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.321 9.34078 4.48048 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8837 9.34078 4.48048 0.02805 protocols.relax.FastRelax: CMD: min -47.0838 9.51341 4.67755 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.0838 9.51341 4.67755 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.0916 9.51341 4.67755 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4646 9.51341 4.67755 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1802 9.51341 4.67755 0.154 protocols.relax.FastRelax: CMD: min -35.7107 9.46533 4.59838 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.7107 9.46533 4.59838 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -25.494 9.46533 4.59838 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.5732 9.46533 4.59838 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7687 9.46533 4.59838 0.31955 protocols.relax.FastRelax: CMD: min -28.8884 9.43852 4.57146 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -28.8884 9.43852 4.57146 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -19.7323 9.43852 4.57146 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.7323 9.43852 4.57146 0.55 protocols.relax.FastRelax: CMD: min -22.1118 9.34957 4.48497 0.55 protocols.relax.FastRelax: MRP: 2 -22.1118 -22.1118 9.34957 4.48497 protocols.relax.FastRelax: CMD: accept_to_best -22.1118 9.34957 4.48497 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.1118 9.34957 4.48497 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.1118 9.34957 4.48497 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9091 9.34957 4.48497 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.5661 9.34957 4.48497 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1314 9.34957 4.48497 0.02805 protocols.relax.FastRelax: CMD: min -47.0771 9.50752 4.70501 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.0771 9.50752 4.70501 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.191 9.50752 4.70501 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 431 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4329 9.50752 4.70501 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1496 9.50752 4.70501 0.154 protocols.relax.FastRelax: CMD: min -36.0127 9.48669 4.63587 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -36.0127 9.48669 4.63587 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -26.0878 9.48669 4.63587 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.1835 9.48669 4.63587 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -25.4008 9.48669 4.63587 0.31955 protocols.relax.FastRelax: CMD: min -26.1779 9.49277 4.59324 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -26.1779 9.49277 4.59324 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -13.3514 9.49277 4.59324 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 419 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.3538 9.49277 4.59324 0.55 protocols.relax.FastRelax: CMD: min -22.1115 9.348 4.48496 0.55 protocols.relax.FastRelax: MRP: 3 -22.1115 -22.1118 9.34957 4.48497 protocols.relax.FastRelax: CMD: accept_to_best -22.1115 9.348 4.48496 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.1115 9.348 4.48496 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -22.1115 9.348 4.48496 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -36.9292 9.348 4.48496 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.5772 9.348 4.48496 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1416 9.348 4.48496 0.02805 protocols.relax.FastRelax: CMD: min -47.0718 9.50475 4.70334 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.0718 9.50475 4.70334 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -25.1583 9.50475 4.70334 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.3875 9.50475 4.70334 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.1018 9.50475 4.70334 0.154 protocols.relax.FastRelax: CMD: min -35.0218 9.45596 4.57228 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -35.0218 9.45596 4.57228 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -24.4874 9.45596 4.57228 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 426 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.6088 9.45596 4.57228 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -23.7803 9.45596 4.57228 0.31955 protocols.relax.FastRelax: CMD: min -25.0335 9.46596 4.5924 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -25.0335 9.46596 4.5924 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -10.7266 9.46596 4.5924 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -10.7267 9.46596 4.5924 0.55 protocols.relax.FastRelax: CMD: min -22.1116 9.34745 4.4845 0.55 protocols.relax.FastRelax: MRP: 4 -22.1116 -22.1118 9.34957 4.48497 protocols.relax.FastRelax: CMD: accept_to_best -22.1116 9.34745 4.4845 0.55 protocols.relax.FastRelax: CMD: endrepeat -22.1116 9.34745 4.4845 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein1/decoy_26.pdb protocols.relax.FastRelax: CMD: repeat 13230.8 8.31965 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13230.8 8.31965 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1959.93 8.31965 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 392 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 45.5013 8.31965 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 50.2476 8.31965 0 0.02805 protocols.relax.FastRelax: CMD: min 110.881 10.8268 5.45203 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 110.881 10.8268 5.45203 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 660.157 10.8268 5.45203 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.32869 10.8268 5.45203 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -6.63735 10.8268 5.45203 0.154 protocols.relax.FastRelax: CMD: min -18.6747 11.0433 5.90039 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -18.6747 11.0433 5.90039 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -2.40165 11.0433 5.90039 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.90215 11.0433 5.90039 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -2.93849 11.0433 5.90039 0.31955 protocols.relax.FastRelax: CMD: min -18.7042 10.8674 5.6402 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -18.7042 10.8674 5.6402 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -9.5482 10.8674 5.6402 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.72013 10.8674 5.6402 0.55 protocols.relax.FastRelax: CMD: min -27.2651 10.2803 4.84208 0.55 protocols.relax.FastRelax: MRP: 0 -27.2651 -27.2651 10.2803 4.84208 protocols.relax.FastRelax: CMD: accept_to_best -27.2651 10.2803 4.84208 0.55 protocols.relax.FastRelax: CMD: endrepeat -27.2651 10.2803 4.84208 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -27.2651 10.2803 4.84208 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -42.3788 10.2803 4.84208 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.7608 10.2803 4.84208 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -45.4694 10.2803 4.84208 0.02805 protocols.relax.FastRelax: CMD: min -55.6504 10.2726 4.95035 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.6504 10.2726 4.95035 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3173 10.2726 4.95035 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.4728 10.2726 4.95035 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3642 10.2726 4.95035 0.154 protocols.relax.FastRelax: CMD: min -48.5503 10.3219 4.96027 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -48.5503 10.3219 4.96027 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -38.9043 10.3219 4.96027 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.9043 10.3219 4.96027 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.1436 10.3219 4.96027 0.31955 protocols.relax.FastRelax: CMD: min -39.7424 10.3054 4.8948 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -39.7424 10.3054 4.8948 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6078 10.3054 4.8948 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 485 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0946 10.3054 4.8948 0.55 protocols.relax.FastRelax: CMD: min -37.2366 10.1531 4.78228 0.55 protocols.relax.FastRelax: MRP: 1 -37.2366 -37.2366 10.1531 4.78228 protocols.relax.FastRelax: CMD: accept_to_best -37.2366 10.1531 4.78228 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.2366 10.1531 4.78228 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.2366 10.1531 4.78228 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -52.1032 10.1531 4.78228 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.2999 10.1531 4.78228 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9285 10.1531 4.78228 0.02805 protocols.relax.FastRelax: CMD: min -58.5771 10.1704 4.95338 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.5771 10.1704 4.95338 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6515 10.1704 4.95338 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.2448 10.1704 4.95338 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.3451 10.1704 4.95338 0.154 protocols.relax.FastRelax: CMD: min -50.5497 10.1511 4.85141 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.5497 10.1511 4.85141 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.159 10.1511 4.85141 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1637 10.1511 4.85141 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.5813 10.1511 4.85141 0.31955 protocols.relax.FastRelax: CMD: min -43.4823 10.1323 4.79996 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4823 10.1323 4.79996 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8318 10.1323 4.79996 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9419 10.1323 4.79996 0.55 protocols.relax.FastRelax: CMD: min -37.3474 10.1681 4.7942 0.55 protocols.relax.FastRelax: MRP: 2 -37.3474 -37.3474 10.1681 4.7942 protocols.relax.FastRelax: CMD: accept_to_best -37.3474 10.1681 4.7942 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.3474 10.1681 4.7942 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.3474 10.1681 4.7942 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7662 10.1681 4.7942 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0257 10.1681 4.7942 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6204 10.1681 4.7942 0.02805 protocols.relax.FastRelax: CMD: min -58.2676 10.1828 4.95227 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.2676 10.1828 4.95227 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.5319 10.1828 4.95227 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.3817 10.1828 4.95227 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.5435 10.1828 4.95227 0.154 protocols.relax.FastRelax: CMD: min -50.3128 10.1593 4.85602 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.3128 10.1593 4.85602 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.368 10.1593 4.85602 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.372 10.1593 4.85602 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8249 10.1593 4.85602 0.31955 protocols.relax.FastRelax: CMD: min -43.6154 10.1372 4.79548 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.6154 10.1372 4.79548 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.4329 10.1372 4.79548 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.4329 10.1372 4.79548 0.55 protocols.relax.FastRelax: CMD: min -37.3472 10.1683 4.7947 0.55 protocols.relax.FastRelax: MRP: 3 -37.3472 -37.3474 10.1681 4.7942 protocols.relax.FastRelax: CMD: accept_to_best -37.3472 10.1683 4.7947 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.3472 10.1683 4.7947 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -37.3472 10.1683 4.7947 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.776 10.1683 4.7947 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0275 10.1683 4.7947 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6216 10.1683 4.7947 0.02805 protocols.relax.FastRelax: CMD: min -58.2632 10.1838 4.95461 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.2632 10.1838 4.95461 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3331 10.1838 4.95461 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.2351 10.1838 4.95461 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.3859 10.1838 4.95461 0.154 protocols.relax.FastRelax: CMD: min -50.3019 10.1618 4.85951 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.3019 10.1618 4.85951 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.3116 10.1618 4.85951 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.3162 10.1618 4.85951 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7656 10.1618 4.85951 0.31955 protocols.relax.FastRelax: CMD: min -43.7271 10.1721 4.82799 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.7271 10.1721 4.82799 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7326 10.1721 4.82799 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 40 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.7326 10.1721 4.82799 0.55 protocols.relax.FastRelax: CMD: min -37.3457 10.1681 4.79387 0.55 protocols.relax.FastRelax: MRP: 4 -37.3457 -37.3474 10.1681 4.7942 protocols.relax.FastRelax: CMD: accept_to_best -37.3457 10.1681 4.79387 0.55 protocols.relax.FastRelax: CMD: endrepeat -37.3457 10.1681 4.79387 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 [41]:
decoy_poses = [prs.pose_from_pdb(f) for f in glob.glob(job_output + '*.pdb')]
core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_21.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_6.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_8.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_11.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_35.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_15.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_47.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_16.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_14.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_38.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_13.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_1.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_23.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_0.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_18.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_12.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_42.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_49.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_33.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_19.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_24.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_43.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_36.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_32.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_17.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_31.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_40.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_5.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_46.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_48.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_41.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_44.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_20.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_30.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_28.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_9.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_10.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_7.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_29.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_37.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_25.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_34.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_4.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_39.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_45.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_27.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_22.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_2.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_3.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_26.pdb' automatically determined to be of type PDB
In [42]:
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 [43]:
rmsds = align_and_get_rmsds(native_pose, decoy_poses)
protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 37.2937611) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 32.4058652) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 37.5193096) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 39.0423021) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 33.7802183) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 24.2539752) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 34.5283154) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 32.6610846) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 35.9511372) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 29.3455213) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 40.7362086) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 41.3959089) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 40.6247810) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 36.0422294) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 34.6658377) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.5162247) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 28.4561489) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 29.8309592) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 36.0456901) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.9454337) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.4930813) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 30.5554770) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 35.1708242) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 34.4027988) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 35.4340941) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 39.1490458) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 36.6131388) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 37.6687957) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.1688627) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 36.7882383) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 35.5266999) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.9591138) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 37.3895595) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 40.0045326) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 34.4402471) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.1320408) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 31.0939509) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 34.4999389) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.2554906) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 40.2474357) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.1858570) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 25.8635611) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 35.3559590) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 31.1011603) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 41.5844688) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 38.2588055) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 34.5320938) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 33.5498491) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 35.7828793) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 121 atoms in 1-40 (RMSD 36.4154367)
In [44]:
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 [45]:
rmsd_df = pd.DataFrame(rmsd_data)
In [46]:
rmsd_df.sort_values('energy_score')
Out[46]:
| structure | rmsd | energy_score | |
|---|---|---|---|
| 33 | outputs/belenprotein1/decoy_28.pdb | 34.440247 | -48.548266 |
| 19 | outputs/belenprotein1/decoy_24.pdb | 38.493081 | -37.412284 |
| 29 | outputs/belenprotein1/decoy_41.pdb | 35.526700 | -35.580865 |
| 34 | outputs/belenprotein1/decoy_9.pdb | 38.132041 | -35.518295 |
| 9 | outputs/belenprotein1/decoy_13.pdb | 40.736209 | -34.996289 |
| 41 | outputs/belenprotein1/decoy_4.pdb | 35.355959 | -32.731208 |
| 35 | outputs/belenprotein1/decoy_10.pdb | 31.093951 | -32.127002 |
| 43 | outputs/belenprotein1/decoy_45.pdb | 41.584469 | -32.013310 |
| 28 | outputs/belenprotein1/decoy_48.pdb | 36.788238 | -31.747217 |
| 39 | outputs/belenprotein1/decoy_25.pdb | 38.185857 | -31.680445 |
| 15 | outputs/belenprotein1/decoy_42.pdb | 28.456149 | -30.878993 |
| 27 | outputs/belenprotein1/decoy_46.pdb | 38.168863 | -30.858942 |
| 22 | outputs/belenprotein1/decoy_32.pdb | 34.402799 | -30.833606 |
| 38 | outputs/belenprotein1/decoy_37.pdb | 40.247436 | -30.695992 |
| 26 | outputs/belenprotein1/decoy_5.pdb | 37.668796 | -30.261503 |
| 24 | outputs/belenprotein1/decoy_31.pdb | 39.149046 | -29.933539 |
| 20 | outputs/belenprotein1/decoy_43.pdb | 30.555477 | -29.767351 |
| 37 | outputs/belenprotein1/decoy_29.pdb | 38.255491 | -27.002285 |
| 11 | outputs/belenprotein1/decoy_23.pdb | 40.624781 | -26.718270 |
| 16 | outputs/belenprotein1/decoy_49.pdb | 29.830959 | -26.001218 |
| 3 | outputs/belenprotein1/decoy_35.pdb | 33.780218 | -25.072710 |
| 12 | outputs/belenprotein1/decoy_0.pdb | 36.042229 | -24.781168 |
| 47 | outputs/belenprotein1/decoy_3.pdb | 35.782879 | -23.552206 |
| 6 | outputs/belenprotein1/decoy_16.pdb | 32.661085 | -22.989802 |
| 18 | outputs/belenprotein1/decoy_19.pdb | 38.945434 | -22.425110 |
| 46 | outputs/belenprotein1/decoy_2.pdb | 33.549849 | -22.281100 |
| 48 | outputs/belenprotein1/decoy_26.pdb | 36.415437 | -22.111815 |
| 23 | outputs/belenprotein1/decoy_17.pdb | 35.434094 | -20.337890 |
| 8 | outputs/belenprotein1/decoy_38.pdb | 29.345521 | -19.957702 |
| 7 | outputs/belenprotein1/decoy_14.pdb | 35.951137 | -19.291932 |
| 42 | outputs/belenprotein1/decoy_39.pdb | 31.101160 | -19.174871 |
| 30 | outputs/belenprotein1/decoy_44.pdb | 38.959114 | -18.892192 |
| 31 | outputs/belenprotein1/decoy_20.pdb | 37.389560 | -18.564141 |
| 4 | outputs/belenprotein1/decoy_15.pdb | 24.253975 | -17.702061 |
| 13 | outputs/belenprotein1/decoy_18.pdb | 34.665838 | -17.027619 |
| 25 | outputs/belenprotein1/decoy_40.pdb | 36.613139 | -17.020494 |
| 14 | outputs/belenprotein1/decoy_12.pdb | 38.516225 | -15.705997 |
| 32 | outputs/belenprotein1/decoy_30.pdb | 40.004533 | -14.396767 |
| 5 | outputs/belenprotein1/decoy_47.pdb | 34.528315 | -12.855399 |
| 44 | outputs/belenprotein1/decoy_27.pdb | 38.258806 | -12.613708 |
| 17 | outputs/belenprotein1/decoy_33.pdb | 36.045690 | -12.515630 |
| 45 | outputs/belenprotein1/decoy_22.pdb | 34.532094 | -10.430334 |
| 0 | outputs/belenprotein1/decoy_6.pdb | 32.405865 | -10.173718 |
| 40 | outputs/belenprotein1/decoy_34.pdb | 25.863561 | -9.584985 |
| 10 | outputs/belenprotein1/decoy_1.pdb | 41.395909 | -7.474794 |
| 2 | outputs/belenprotein1/decoy_11.pdb | 39.042302 | -6.429199 |
| 1 | outputs/belenprotein1/decoy_8.pdb | 37.519310 | -5.428794 |
| 21 | outputs/belenprotein1/decoy_36.pdb | 35.170824 | -5.085882 |
| 36 | outputs/belenprotein1/decoy_7.pdb | 34.499939 | 0.811620 |
Q: Plot the energy_score VS rmsd. Are the lowest energy structures the closest to the native one?¶
In [47]:
!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 [48]:
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[48]:
array([[ 1. , -0.09665596],
[-0.09665596, 1. ]])
In [52]:
decoy_28 = prs.pose_from_pdb('outputs/belenprotein1/decoy_28.pdb')
view = ngl.show_rosetta(decoy_28)
view
core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_28.pdb' automatically determined to be of type PDB
In [53]:
decoy_24 = prs.pose_from_pdb('outputs/belenprotein1/decoy_24.pdb')
view = ngl.show_rosetta(decoy_24)
view
core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_24.pdb' automatically determined to be of type PDB
In [54]:
decoy_41 = prs.pose_from_pdb('outputs/belenprotein1/decoy_41.pdb')
view = ngl.show_rosetta(decoy_15)
view
core.import_pose.import_pose: File 'outputs/belenprotein1/decoy_41.pdb' automatically determined to be of type PDB
In [ ]: