In [32]:
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=237083260 seed_offset=0 real_seed=237083260 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=237083260 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 [33]:
!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=-2134600581 seed_offset=0 real_seed=-2134600581 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-2134600581 RG_type=mt19937
Setting up score functions that will be used across parts¶
In [34]:
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 [35]:
native_pose = prs.pose_from_sequence('EYALMANVITHALYNCEDTHQMASIACKIQEANIALIVELEN')
We can check the amino acid sequence of the structure with a very simple command.
In [36]:
native_pose.sequence()
Out[36]:
'EYALMANVITHALYNCEDTHQMASIACKIQEANIALIVELEN'
We can also assign the correct secondary structure.
In [37]:
DSSP = prs.rosetta.protocols.moves.DsspMover()
DSSP.apply(native_pose) # populates the pose's Pose.secstruct
protocols.DsspMover: LLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLLL
Hint: The amino acids are also called residues!¶
Let's view more information about the first residue of the protein.
In [38]:
print(native_pose.residue(1))
Residue 1: GLU:NtermProteinFull (GLU, E): Base: GLU Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS SC_ORBITALS POLAR CHARGED NEGATIVE_CHARGE METALBINDING ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O 1H 2H 3H HA Side-chain atoms: CB CG CD OE1 OE2 1HB 2HB 1HG 2HG Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, -2.76825e-07 CB : 1.99143, -0.764326, -1.21373 CG : 0.911326, -1.33582, -2.12125 CD : -0.479564, -1.0318, -1.63846 OE1: -0.608796, -0.392001, -0.622485 OE2: -1.41432, -1.44, -2.28668 1H : -0.333807, -0.942641, -1.1544e-16 2H : -0.333807, 0.471321, 0.816351 3H : -0.333807, 0.471321, -0.816351 HA : 1.80402, -0.498207, 0.906235 1HB : 2.61722, -0.103406, -1.81372 2HB : 2.61717, -1.59093, -0.876963 1HG : 1.03498, -0.921355, -3.12143 2HG : 1.04033, -2.41528, -2.1867 Mirrored relative to coordinates in ResidueType: FALSE
In [39]:
pose = prs.pose_from_sequence(native_pose.sequence())
test_pose = prs.Pose()
test_pose.assign(pose)
test_pose.pdb_info().name('Linearized Pose')
In [62]:
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 [41]:
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_full_atom = prs.SwitchResidueTypeSetMover('fa_standard')
In [42]:
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: 12335.08008427157 Centroid Score: 185.16206256660234
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 [63]:
# 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!
Residue 1: GLU:NtermProteinFull (GLU, E): Base: GLU Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS POLAR CHARGED NEGATIVE_CHARGE ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O H Side-chain atoms: CB CEN Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 2.48437, 1.91182, -1.02351 CB : 1.99377, -0.771729, -1.208 CEN: 2.63591, -2.19885, -1.88206 H : -0.5, -0.433013, -0.75 Mirrored relative to coordinates in ResidueType: FALSE Centroid Score: 60.9671747440984
Setting up the folding algorithm¶
In [43]:
# Loading the files with the pre-computed fragmets
long_frag_filename = 'data/random/sequence5/aat000_09_05.200_v1_3.txt'
long_frag_length = 9
short_frag_filename = 'data/random/sequence5/aat000_03_05.200_v1_3.txt'
short_frag_length = 3
# Defining parameters of the folding algorithm
long_inserts=5 # How many 9-fragment pieces to insest during the search
short_inserts=10 # How many 3-fragment pieces to insest during the search
kT = 3.0 # Simulated Annealing temperature
cycles = 1000 # How many cycles of Monte Carlo search to run
jobs = 50 # How many trajectories in parallel to compute.
job_output = 'outputs/belenprotein5/decoy' # The prefix of the filenames to store the results
Loading the fragmets¶
In [44]:
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/sequence5/aat000_09_05.200_v1_3.txt core.fragments.ConstantLengthFragSet: finished reading top 200 3mer fragments from file data/random/sequence5/aat000_03_05.200_v1_3.txt
Q: How many 9-mer and 3-mer fragments do we have in our database?¶
TBD
Setting up the MonteCarlo search¶
In [45]:
# Making sure the structure is in centroid-only mode for the search
test_pose.assign(pose)
to_centroid.apply(test_pose)
In [46]:
# 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 [47]:
mc = prs.MonteCarlo(test_pose, scorefxn_low, kT)
trial = prs.TrialMover(folding_mover, mc)
In [48]:
# 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 [49]:
fast_relax_mover = prs.rosetta.protocols.relax.FastRelax(scorefxn_high)
Running the folding algorithm!¶
In [50]:
scores = [0] * (jobs + 1)
scores[0] = scorefxn_low(test_pose)
In [51]:
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/belenprotein5/decoy_5.pdb
In [52]:
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 11951.3 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11951.3 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1617.19 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 1.4276 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 6.18628 0 0 0.02805 protocols.relax.FastRelax: CMD: min -55.2813 1.37915 1.37915 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.2813 1.37915 1.37915 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.1629 1.37915 1.37915 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.8252 1.37915 1.37915 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -28.3815 1.37915 1.37915 0.154 protocols.relax.FastRelax: CMD: min -45.6637 1.35939 1.35939 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.6637 1.35939 1.35939 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -34.581 1.35939 1.35939 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.6714 1.35939 1.35939 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -33.8049 1.35939 1.35939 0.31955 protocols.relax.FastRelax: CMD: min -34.2219 1.34259 1.34259 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.2219 1.34259 1.34259 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -18.5554 1.34259 1.34259 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.6227 1.34259 1.34259 0.55 protocols.relax.FastRelax: CMD: min -41.2159 1.69734 1.69734 0.55 protocols.relax.FastRelax: MRP: 0 -41.2159 -41.2159 1.69734 1.69734 protocols.relax.FastRelax: CMD: accept_to_best -41.2159 1.69734 1.69734 0.55 protocols.relax.FastRelax: CMD: endrepeat -41.2159 1.69734 1.69734 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -41.2159 1.69734 1.69734 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6834 1.69734 1.69734 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.748 1.69734 1.69734 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3666 1.69734 1.69734 0.02805 protocols.relax.FastRelax: CMD: min -69.5867 1.89429 1.89429 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -69.5867 1.89429 1.89429 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.0983 1.89429 1.89429 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.4719 1.89429 1.89429 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1823 1.89429 1.89429 0.154 protocols.relax.FastRelax: CMD: min -58.1093 1.80495 1.80495 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.1093 1.80495 1.80495 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7524 1.80495 1.80495 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 499 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.7579 1.80495 1.80495 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.0204 1.80495 1.80495 0.31955 protocols.relax.FastRelax: CMD: min -49.918 1.73738 1.73738 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.918 1.73738 1.73738 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.7363 1.73738 1.73738 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.0238 1.73738 1.73738 0.55 protocols.relax.FastRelax: CMD: min -42.7533 1.74172 1.74172 0.55 protocols.relax.FastRelax: MRP: 1 -42.7533 -42.7533 1.74172 1.74172 protocols.relax.FastRelax: CMD: accept_to_best -42.7533 1.74172 1.74172 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.7533 1.74172 1.74172 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.7533 1.74172 1.74172 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6665 1.74172 1.74172 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.5109 1.74172 1.74172 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -62.0653 1.74172 1.74172 0.02805 protocols.relax.FastRelax: CMD: min -64.9713 1.81716 1.81716 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9713 1.81716 1.81716 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7172 1.81716 1.81716 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.8661 1.81716 1.81716 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7389 1.81716 1.81716 0.154 protocols.relax.FastRelax: CMD: min -55.9435 1.76025 1.76025 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9435 1.76025 1.76025 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2018 1.76025 1.76025 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.416 1.76025 1.76025 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.6732 1.76025 1.76025 0.31955 protocols.relax.FastRelax: CMD: min -49.7494 1.74791 1.74791 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.7494 1.74791 1.74791 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.4055 1.74791 1.74791 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.4119 1.74791 1.74791 0.55 protocols.relax.FastRelax: CMD: min -42.7546 1.74916 1.74916 0.55 protocols.relax.FastRelax: MRP: 2 -42.7546 -42.7546 1.74916 1.74916 protocols.relax.FastRelax: CMD: accept_to_best -42.7546 1.74916 1.74916 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.7546 1.74916 1.74916 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.7546 1.74916 1.74916 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6354 1.74916 1.74916 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6562 1.74916 1.74916 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2158 1.74916 1.74916 0.02805 protocols.relax.FastRelax: CMD: min -64.8012 1.82515 1.82515 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8012 1.82515 1.82515 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.2883 1.82515 1.82515 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4488 1.82515 1.82515 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.3022 1.82515 1.82515 0.154 protocols.relax.FastRelax: CMD: min -57.5509 1.78889 1.78889 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -57.5509 1.78889 1.78889 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.2374 1.78889 1.78889 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.5333 1.78889 1.78889 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.8859 1.78889 1.78889 0.31955 protocols.relax.FastRelax: CMD: min -49.7089 1.75736 1.75736 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.7089 1.75736 1.75736 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8667 1.75736 1.75736 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.2736 1.75736 1.75736 0.55 protocols.relax.FastRelax: CMD: min -42.766 1.74753 1.74753 0.55 protocols.relax.FastRelax: MRP: 3 -42.766 -42.766 1.74753 1.74753 protocols.relax.FastRelax: CMD: accept_to_best -42.766 1.74753 1.74753 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.766 1.74753 1.74753 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.766 1.74753 1.74753 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6336 1.74753 1.74753 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6001 1.74753 1.74753 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1602 1.74753 1.74753 0.02805 protocols.relax.FastRelax: CMD: min -68.8378 1.87132 1.87132 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -68.8378 1.87132 1.87132 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.0897 1.87132 1.87132 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.8913 1.87132 1.87132 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.4708 1.87132 1.87132 0.154 protocols.relax.FastRelax: CMD: min -58.2165 1.81442 1.81442 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.2165 1.81442 1.81442 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.8022 1.81442 1.81442 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.9429 1.81442 1.81442 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.1995 1.81442 1.81442 0.31955 protocols.relax.FastRelax: CMD: min -50.447 1.76281 1.76281 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.447 1.76281 1.76281 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -40.2979 1.76281 1.76281 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.4792 1.76281 1.76281 0.55 protocols.relax.FastRelax: CMD: min -42.7388 1.75018 1.75018 0.55 protocols.relax.FastRelax: MRP: 4 -42.7388 -42.766 1.74753 1.74753 protocols.relax.FastRelax: CMD: accept_to_best -42.7388 1.75018 1.75018 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.7388 1.75018 1.75018 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_23.pdb protocols.relax.FastRelax: CMD: repeat 14444.5 7.08984 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14444.5 7.08984 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1631.64 7.08984 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 500 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.018 7.08984 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2814 7.08984 0 0.02805 protocols.relax.FastRelax: CMD: min -76.6093 7.43344 1.11951 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.6093 7.43344 1.11951 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -37.8637 7.43344 1.11951 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.4308 7.43344 1.11951 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.469 7.43344 1.11951 0.154 protocols.relax.FastRelax: CMD: min -61.6013 7.93478 1.2887 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -61.6013 7.93478 1.2887 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.675 7.93478 1.2887 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.6361 7.93478 1.2887 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.7586 7.93478 1.2887 0.31955 protocols.relax.FastRelax: CMD: min -56.2748 7.87105 1.25338 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.2748 7.87105 1.25338 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2841 7.87105 1.25338 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.8897 7.87105 1.25338 0.55 protocols.relax.FastRelax: CMD: min -65.0608 7.94082 1.29854 0.55 protocols.relax.FastRelax: MRP: 0 -65.0608 -65.0608 7.94082 1.29854 protocols.relax.FastRelax: CMD: accept_to_best -65.0608 7.94082 1.29854 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.0608 7.94082 1.29854 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.0608 7.94082 1.29854 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.251 7.94082 1.29854 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.8908 7.94082 1.29854 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.3901 7.94082 1.29854 0.02805 protocols.relax.FastRelax: CMD: min -103.742 7.89333 1.3713 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.742 7.89333 1.3713 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9971 7.89333 1.3713 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.5104 7.89333 1.3713 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1753 7.89333 1.3713 0.154 protocols.relax.FastRelax: CMD: min -85.0482 7.91669 1.29456 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.0482 7.91669 1.29456 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.425 7.91669 1.29456 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 544 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.4757 7.91669 1.29456 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.5617 7.91669 1.29456 0.31955 protocols.relax.FastRelax: CMD: min -74.7955 7.9545 1.28261 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7955 7.9545 1.28261 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9947 7.9545 1.28261 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.3623 7.9545 1.28261 0.55 protocols.relax.FastRelax: CMD: min -71.5883 7.82426 1.17243 0.55 protocols.relax.FastRelax: MRP: 1 -71.5883 -71.5883 7.82426 1.17243 protocols.relax.FastRelax: CMD: accept_to_best -71.5883 7.82426 1.17243 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.5883 7.82426 1.17243 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.5883 7.82426 1.17243 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.3867 7.82426 1.17243 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.6017 7.82426 1.17243 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.8716 7.82426 1.17243 0.02805 protocols.relax.FastRelax: CMD: min -104.861 7.75546 1.30751 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.861 7.75546 1.30751 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.915 7.75546 1.30751 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.2194 7.75546 1.30751 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.3745 7.75546 1.30751 0.154 protocols.relax.FastRelax: CMD: min -88.6521 7.80547 1.22273 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.6521 7.80547 1.22273 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7624 7.80547 1.22273 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.6127 7.80547 1.22273 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6803 7.80547 1.22273 0.31955 protocols.relax.FastRelax: CMD: min -80.4274 7.82982 1.17994 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.4274 7.82982 1.17994 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.8008 7.82982 1.17994 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8012 7.82982 1.17994 0.55 protocols.relax.FastRelax: CMD: min -73.3646 7.91179 1.29805 0.55 protocols.relax.FastRelax: MRP: 2 -73.3646 -73.3646 7.91179 1.29805 protocols.relax.FastRelax: CMD: accept_to_best -73.3646 7.91179 1.29805 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.3646 7.91179 1.29805 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.3646 7.91179 1.29805 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7776 7.91179 1.29805 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.0248 7.91179 1.29805 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.386 7.91179 1.29805 0.02805 protocols.relax.FastRelax: CMD: min -103.605 7.58212 1.23773 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.605 7.58212 1.23773 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4321 7.58212 1.23773 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8863 7.58212 1.23773 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5 7.58212 1.23773 0.154 protocols.relax.FastRelax: CMD: min -90.7246 7.82634 1.2509 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.7246 7.82634 1.2509 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.6286 7.82634 1.2509 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.1966 7.82634 1.2509 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2319 7.82634 1.2509 0.31955 protocols.relax.FastRelax: CMD: min -81.4203 7.8894 1.27894 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4203 7.8894 1.27894 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.4819 7.8894 1.27894 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.4824 7.8894 1.27894 0.55 protocols.relax.FastRelax: CMD: min -73.367 7.91409 1.30003 0.55 protocols.relax.FastRelax: MRP: 3 -73.367 -73.367 7.91409 1.30003 protocols.relax.FastRelax: CMD: accept_to_best -73.367 7.91409 1.30003 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.367 7.91409 1.30003 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.367 7.91409 1.30003 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.7517 7.91409 1.30003 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.0179 7.91409 1.30003 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.3843 7.91409 1.30003 0.02805 protocols.relax.FastRelax: CMD: min -99.6372 7.95295 1.46681 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.6372 7.95295 1.46681 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.307 7.95295 1.46681 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.4812 7.95295 1.46681 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.386 7.95295 1.46681 0.154 protocols.relax.FastRelax: CMD: min -89.1284 7.88214 1.30744 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1284 7.88214 1.30744 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.5204 7.88214 1.30744 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.0212 7.88214 1.30744 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.3672 7.88214 1.30744 0.31955 protocols.relax.FastRelax: CMD: min -81.4601 7.85872 1.24196 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4601 7.85872 1.24196 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4935 7.85872 1.24196 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.4935 7.85872 1.24196 0.55 protocols.relax.FastRelax: CMD: min -73.3714 7.91276 1.29535 0.55 protocols.relax.FastRelax: MRP: 4 -73.3714 -73.3714 7.91276 1.29535 protocols.relax.FastRelax: CMD: accept_to_best -73.3714 7.91276 1.29535 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.3714 7.91276 1.29535 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_33.pdb protocols.relax.FastRelax: CMD: repeat 16986.3 5.34974 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16986.3 5.34974 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1878.35 5.34974 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 703 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.249 5.34974 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8602 5.34974 0 0.02805 protocols.relax.FastRelax: CMD: min -76.7497 5.49948 1.24743 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.7497 5.49948 1.24743 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7164 5.49948 1.24743 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.3576 5.49948 1.24743 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -35.7195 5.49948 1.24743 0.154 protocols.relax.FastRelax: CMD: min -59.5072 5.65589 0.921099 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.5072 5.65589 0.921099 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2786 5.65589 0.921099 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.2816 5.65589 0.921099 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2385 5.65589 0.921099 0.31955 protocols.relax.FastRelax: CMD: min -46.2499 5.66295 0.902316 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -46.2499 5.66295 0.902316 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0483 5.66295 0.902316 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.1556 5.66295 0.902316 0.55 protocols.relax.FastRelax: CMD: min -50.0293 6.15749 1.65679 0.55 protocols.relax.FastRelax: MRP: 0 -50.0293 -50.0293 6.15749 1.65679 protocols.relax.FastRelax: CMD: accept_to_best -50.0293 6.15749 1.65679 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.0293 6.15749 1.65679 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.0293 6.15749 1.65679 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8175 6.15749 1.65679 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8036 6.15749 1.65679 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6991 6.15749 1.65679 0.02805 protocols.relax.FastRelax: CMD: min -83.3091 6.22085 1.80402 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.3091 6.22085 1.80402 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0164 6.22085 1.80402 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 619 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.6205 6.22085 1.80402 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9632 6.22085 1.80402 0.154 protocols.relax.FastRelax: CMD: min -72.1055 6.33613 2.00011 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.1055 6.33613 2.00011 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0187 6.33613 2.00011 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.1753 6.33613 2.00011 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2231 6.33613 2.00011 0.31955 protocols.relax.FastRelax: CMD: min -59.9705 6.3314 1.97795 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.9705 6.3314 1.97795 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1897 6.3314 1.97795 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6042 6.3314 1.97795 0.55 protocols.relax.FastRelax: CMD: min -52.0805 6.42211 2.01808 0.55 protocols.relax.FastRelax: MRP: 1 -52.0805 -52.0805 6.42211 2.01808 protocols.relax.FastRelax: CMD: accept_to_best -52.0805 6.42211 2.01808 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.0805 6.42211 2.01808 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.0805 6.42211 2.01808 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.7635 6.42211 2.01808 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 599 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.891 6.42211 2.01808 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.6254 6.42211 2.01808 0.02805 protocols.relax.FastRelax: CMD: min -91.855 6.50118 2.38353 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.855 6.50118 2.38353 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.8507 6.50118 2.38353 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3197 6.50118 2.38353 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.5624 6.50118 2.38353 0.154 protocols.relax.FastRelax: CMD: min -73.0705 6.52774 2.27109 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.0705 6.52774 2.27109 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0089 6.52774 2.27109 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.5224 6.52774 2.27109 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4315 6.52774 2.27109 0.31955 protocols.relax.FastRelax: CMD: min -62.3299 6.56906 2.29002 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.3299 6.56906 2.29002 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.3266 6.56906 2.29002 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.5273 6.56906 2.29002 0.55 protocols.relax.FastRelax: CMD: min -54.0513 6.57489 2.28821 0.55 protocols.relax.FastRelax: MRP: 2 -54.0513 -54.0513 6.57489 2.28821 protocols.relax.FastRelax: CMD: accept_to_best -54.0513 6.57489 2.28821 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.0513 6.57489 2.28821 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.0513 6.57489 2.28821 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.3204 6.57489 2.28821 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 608 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.9548 6.57489 2.28821 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.923 6.57489 2.28821 0.02805 protocols.relax.FastRelax: CMD: min -89.0206 6.47513 2.3704 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.0206 6.47513 2.3704 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1653 6.47513 2.3704 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.7864 6.47513 2.3704 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.1517 6.47513 2.3704 0.154 protocols.relax.FastRelax: CMD: min -74.7804 6.55566 2.31221 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7804 6.55566 2.31221 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7356 6.55566 2.31221 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.0765 6.55566 2.31221 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.061 6.55566 2.31221 0.31955 protocols.relax.FastRelax: CMD: min -64.0591 6.56149 2.30023 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.0591 6.56149 2.30023 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.412 6.56149 2.30023 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.7594 6.56149 2.30023 0.55 protocols.relax.FastRelax: CMD: min -54.101 6.57161 2.28396 0.55 protocols.relax.FastRelax: MRP: 3 -54.101 -54.101 6.57161 2.28396 protocols.relax.FastRelax: CMD: accept_to_best -54.101 6.57161 2.28396 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.101 6.57161 2.28396 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.101 6.57161 2.28396 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.3865 6.57161 2.28396 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 609 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.7214 6.57161 2.28396 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.6429 6.57161 2.28396 0.02805 protocols.relax.FastRelax: CMD: min -92.4012 6.52887 2.43156 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.4012 6.52887 2.43156 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5316 6.52887 2.43156 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.3043 6.52887 2.43156 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5182 6.52887 2.43156 0.154 protocols.relax.FastRelax: CMD: min -76.7121 6.50547 2.31558 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.7121 6.50547 2.31558 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.2079 6.50547 2.31558 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.2854 6.50547 2.31558 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2235 6.50547 2.31558 0.31955 protocols.relax.FastRelax: CMD: min -65.3649 6.52582 2.31281 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.3649 6.52582 2.31281 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.1389 6.52582 2.31281 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.3546 6.52582 2.31281 0.55 protocols.relax.FastRelax: CMD: min -55.4264 6.57205 2.37741 0.55 protocols.relax.FastRelax: MRP: 4 -55.4264 -55.4264 6.57205 2.37741 protocols.relax.FastRelax: CMD: accept_to_best -55.4264 6.57205 2.37741 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.4264 6.57205 2.37741 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_49.pdb protocols.relax.FastRelax: CMD: repeat 17719.7 5.91251 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 17719.7 5.91251 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1800.1 5.91251 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 677 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 82.2881 5.91251 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 120.351 5.91251 0 0.02805 protocols.relax.FastRelax: CMD: min -77.3122 5.7971 2.75266 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.3122 5.7971 2.75266 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.3204 5.7971 2.75266 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1627 5.7971 2.75266 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.9611 5.7971 2.75266 0.154 protocols.relax.FastRelax: CMD: min -68.0821 5.86548 3.4236 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.0821 5.86548 3.4236 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2746 5.86548 3.4236 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.4103 5.86548 3.4236 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6527 5.86548 3.4236 0.31955 protocols.relax.FastRelax: CMD: min -57.7515 5.8682 3.42626 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.7515 5.8682 3.42626 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.4353 5.8682 3.42626 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.5348 5.8682 3.42626 0.55 protocols.relax.FastRelax: CMD: min -63.6061 6.05821 3.58227 0.55 protocols.relax.FastRelax: MRP: 0 -63.6061 -63.6061 6.05821 3.58227 protocols.relax.FastRelax: CMD: accept_to_best -63.6061 6.05821 3.58227 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.6061 6.05821 3.58227 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.6061 6.05821 3.58227 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.4853 6.05821 3.58227 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.327 6.05821 3.58227 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9245 6.05821 3.58227 0.02805 protocols.relax.FastRelax: CMD: min -80.9757 6.05614 3.5808 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.9757 6.05614 3.5808 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1263 6.05614 3.5808 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.2351 6.05614 3.5808 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9233 6.05614 3.5808 0.154 protocols.relax.FastRelax: CMD: min -74.9455 6.05464 3.57916 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9455 6.05464 3.57916 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1309 6.05464 3.57916 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.1309 6.05464 3.57916 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.6724 6.05464 3.57916 0.31955 protocols.relax.FastRelax: CMD: min -68.6839 6.05508 3.58044 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6839 6.05508 3.58044 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9593 6.05508 3.58044 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.9755 6.05508 3.58044 0.55 protocols.relax.FastRelax: CMD: min -63.5526 6.04908 3.56211 0.55 protocols.relax.FastRelax: MRP: 1 -63.5526 -63.6061 6.05821 3.58227 protocols.relax.FastRelax: CMD: accept_to_best -63.5526 6.04908 3.56211 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.5526 6.04908 3.56211 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5526 6.04908 3.56211 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.4346 6.04908 3.56211 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.3546 6.04908 3.56211 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9471 6.04908 3.56211 0.02805 protocols.relax.FastRelax: CMD: min -80.9996 6.04705 3.5607 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.9996 6.04705 3.5607 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.0529 6.04705 3.5607 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.2879 6.04705 3.5607 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9764 6.04705 3.5607 0.154 protocols.relax.FastRelax: CMD: min -74.9984 6.0456 3.5592 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9984 6.0456 3.5592 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1899 6.0456 3.5592 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.1899 6.0456 3.5592 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7318 6.0456 3.5592 0.31955 protocols.relax.FastRelax: CMD: min -68.7439 6.04614 3.56079 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.7439 6.04614 3.56079 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0294 6.04614 3.56079 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.0517 6.04614 3.56079 0.55 protocols.relax.FastRelax: CMD: min -63.5247 6.06232 3.60172 0.55 protocols.relax.FastRelax: MRP: 2 -63.5247 -63.6061 6.05821 3.58227 protocols.relax.FastRelax: CMD: accept_to_best -63.5247 6.06232 3.60172 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.5247 6.06232 3.60172 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5247 6.06232 3.60172 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.3783 6.06232 3.60172 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.3367 6.06232 3.60172 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9349 6.06232 3.60172 0.02805 protocols.relax.FastRelax: CMD: min -80.9869 6.06032 3.60045 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.9869 6.06032 3.60045 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1546 6.06032 3.60045 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.2782 6.06032 3.60045 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9669 6.06032 3.60045 0.154 protocols.relax.FastRelax: CMD: min -74.9892 6.05883 3.59886 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9892 6.05883 3.59886 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1845 6.05883 3.59886 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.1845 6.05883 3.59886 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.7267 6.05883 3.59886 0.31955 protocols.relax.FastRelax: CMD: min -68.7389 6.05933 3.60027 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.7389 6.05933 3.60027 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0296 6.05933 3.60027 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.2874 6.05933 3.60027 0.55 protocols.relax.FastRelax: CMD: min -62.8202 6.23407 4.0619 0.55 protocols.relax.FastRelax: MRP: 3 -62.8202 -63.6061 6.05821 3.58227 protocols.relax.FastRelax: CMD: accept_to_best -62.8202 6.23407 4.0619 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.8202 6.23407 4.0619 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.8202 6.23407 4.0619 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6276 6.23407 4.0619 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.6441 6.23407 4.0619 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.2234 6.23407 4.0619 0.02805 protocols.relax.FastRelax: CMD: min -80.2765 6.23253 4.06166 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.2765 6.23253 4.06166 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.083 6.23253 4.06166 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.5397 6.23253 4.06166 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2317 6.23253 4.06166 0.154 protocols.relax.FastRelax: CMD: min -74.2523 6.23112 4.06043 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.2523 6.23112 4.06043 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5099 6.23112 4.06043 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.5099 6.23112 4.06043 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.0571 6.23112 4.06043 0.31955 protocols.relax.FastRelax: CMD: min -68.0668 6.23162 4.06167 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.0668 6.23162 4.06167 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.448 6.23162 4.06167 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4481 6.23162 4.06167 0.55 protocols.relax.FastRelax: CMD: min -62.9225 6.23187 4.05766 0.55 protocols.relax.FastRelax: MRP: 4 -62.9225 -63.6061 6.05821 3.58227 protocols.relax.FastRelax: CMD: accept_to_best -62.9225 6.23187 4.05766 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.9225 6.23187 4.05766 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_8.pdb protocols.relax.FastRelax: CMD: repeat 17110.8 8.46879 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 17110.8 8.46879 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1824.62 8.46879 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 708 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -2.98661 8.46879 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 10.5009 8.46879 0 0.02805 protocols.relax.FastRelax: CMD: min -87.0055 7.8613 1.72617 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.0055 7.8613 1.72617 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.5577 7.8613 1.72617 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.4193 7.8613 1.72617 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0555 7.8613 1.72617 0.154 protocols.relax.FastRelax: CMD: min -66.2758 7.74441 1.80144 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -66.2758 7.74441 1.80144 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.4635 7.74441 1.80144 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.9259 7.74441 1.80144 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.2777 7.74441 1.80144 0.31955 protocols.relax.FastRelax: CMD: min -58.6434 7.86684 2.24893 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.6434 7.86684 2.24893 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1241 7.86684 2.24893 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.941 7.86684 2.24893 0.55 protocols.relax.FastRelax: CMD: min -71.6533 8.24021 2.2984 0.55 protocols.relax.FastRelax: MRP: 0 -71.6533 -71.6533 8.24021 2.2984 protocols.relax.FastRelax: CMD: accept_to_best -71.6533 8.24021 2.2984 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.6533 8.24021 2.2984 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.6533 8.24021 2.2984 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.7313 8.24021 2.2984 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 888 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.5726 8.24021 2.2984 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.0405 8.24021 2.2984 0.02805 protocols.relax.FastRelax: CMD: min -100.016 8.31841 2.39205 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -100.016 8.31841 2.39205 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5469 8.31841 2.39205 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 691 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.6519 8.31841 2.39205 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9503 8.31841 2.39205 0.154 protocols.relax.FastRelax: CMD: min -89.0201 8.28022 2.28144 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.0201 8.28022 2.28144 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1095 8.28022 2.28144 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 681 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.2756 8.28022 2.28144 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4236 8.28022 2.28144 0.31955 protocols.relax.FastRelax: CMD: min -79.2197 8.2467 2.28428 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2197 8.2467 2.28428 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.1433 8.2467 2.28428 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 666 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.8274 8.2467 2.28428 0.55 protocols.relax.FastRelax: CMD: min -72.7019 8.24289 2.30634 0.55 protocols.relax.FastRelax: MRP: 1 -72.7019 -72.7019 8.24289 2.30634 protocols.relax.FastRelax: CMD: accept_to_best -72.7019 8.24289 2.30634 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.7019 8.24289 2.30634 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7019 8.24289 2.30634 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.0514 8.24289 2.30634 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 922 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.7989 8.24289 2.30634 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.2603 8.24289 2.30634 0.02805 protocols.relax.FastRelax: CMD: min -107.032 8.25971 2.37044 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.032 8.25971 2.37044 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6964 8.25971 2.37044 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 709 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.5108 8.25971 2.37044 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9408 8.25971 2.37044 0.154 protocols.relax.FastRelax: CMD: min -93.2073 8.27599 2.27397 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -93.2073 8.27599 2.27397 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.149 8.27599 2.27397 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 687 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.1942 8.27599 2.27397 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.2494 8.27599 2.27397 0.31955 protocols.relax.FastRelax: CMD: min -82.2386 8.2511 2.29342 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2386 8.2511 2.29342 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.6049 8.2511 2.29342 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 690 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.6241 8.2511 2.29342 0.55 protocols.relax.FastRelax: CMD: min -76.0263 8.26137 2.2813 0.55 protocols.relax.FastRelax: MRP: 2 -76.0263 -76.0263 8.26137 2.2813 protocols.relax.FastRelax: CMD: accept_to_best -76.0263 8.26137 2.2813 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.0263 8.26137 2.2813 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.0263 8.26137 2.2813 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.8721 8.26137 2.2813 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 957 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.5575 8.26137 2.2813 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.0348 8.26137 2.2813 0.02805 protocols.relax.FastRelax: CMD: min -107.937 8.23971 2.34861 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.937 8.23971 2.34861 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -76.8664 8.23971 2.34861 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 724 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.4756 8.23971 2.34861 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9273 8.23971 2.34861 0.154 protocols.relax.FastRelax: CMD: min -94.3751 8.25123 2.30493 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -94.3751 8.25123 2.30493 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.1597 8.25123 2.30493 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 725 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.1663 8.25123 2.30493 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2823 8.25123 2.30493 0.31955 protocols.relax.FastRelax: CMD: min -84.0564 8.25854 2.26714 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.0564 8.25854 2.26714 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3152 8.25854 2.26714 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 710 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.3849 8.25854 2.26714 0.55 protocols.relax.FastRelax: CMD: min -76.0272 8.26052 2.28402 0.55 protocols.relax.FastRelax: MRP: 3 -76.0272 -76.0272 8.26052 2.28402 protocols.relax.FastRelax: CMD: accept_to_best -76.0272 8.26052 2.28402 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.0272 8.26052 2.28402 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.0272 8.26052 2.28402 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.909 8.26052 2.28402 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 958 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.6387 8.26052 2.28402 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.1152 8.26052 2.28402 0.02805 protocols.relax.FastRelax: CMD: min -105.855 8.33027 2.37312 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.855 8.33027 2.37312 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4895 8.33027 2.37312 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 731 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.5317 8.33027 2.37312 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1312 8.33027 2.37312 0.154 protocols.relax.FastRelax: CMD: min -89.7886 8.30535 2.27233 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.7886 8.30535 2.27233 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8911 8.30535 2.27233 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 722 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.7885 8.30535 2.27233 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -79.9434 8.30535 2.27233 0.31955 protocols.relax.FastRelax: CMD: min -82.412 8.2745 2.28284 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.412 8.2745 2.28284 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4772 8.2745 2.28284 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 702 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.4846 8.2745 2.28284 0.55 protocols.relax.FastRelax: CMD: min -74.8925 8.27066 2.29451 0.55 protocols.relax.FastRelax: MRP: 4 -74.8925 -76.0272 8.26052 2.28402 protocols.relax.FastRelax: CMD: accept_to_best -74.8925 8.27066 2.29451 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.8925 8.27066 2.29451 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_19.pdb protocols.relax.FastRelax: CMD: repeat 15564.3 6.70535 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15564.3 6.70535 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1696.78 6.70535 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 37.1525 6.70535 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 54.3677 6.70535 0 0.02805 protocols.relax.FastRelax: CMD: min -48.9448 5.74637 2.92578 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -48.9448 5.74637 2.92578 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.91581 5.74637 2.92578 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -14.8575 5.74637 2.92578 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -12.6658 5.74637 2.92578 0.154 protocols.relax.FastRelax: CMD: min -39.1386 5.68363 2.64281 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -39.1386 5.68363 2.64281 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5142 5.68363 2.64281 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.5067 5.68363 2.64281 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6268 5.68363 2.64281 0.31955 protocols.relax.FastRelax: CMD: min -40.7309 5.82521 2.10741 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.7309 5.82521 2.10741 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.9221 5.82521 2.10741 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.2341 5.82521 2.10741 0.55 protocols.relax.FastRelax: CMD: min -44.9034 5.85876 1.85452 0.55 protocols.relax.FastRelax: MRP: 0 -44.9034 -44.9034 5.85876 1.85452 protocols.relax.FastRelax: CMD: accept_to_best -44.9034 5.85876 1.85452 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.9034 5.85876 1.85452 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.9034 5.85876 1.85452 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2162 5.85876 1.85452 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 585 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.8598 5.85876 1.85452 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -64.4238 5.85876 1.85452 0.02805 protocols.relax.FastRelax: CMD: min -75.8152 5.84634 1.93444 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.8152 5.84634 1.93444 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.7486 5.84634 1.93444 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.0454 5.84634 1.93444 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.346 5.84634 1.93444 0.154 protocols.relax.FastRelax: CMD: min -60.872 5.8445 1.8642 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.872 5.8445 1.8642 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.96 5.8445 1.8642 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.9645 5.8445 1.8642 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.1833 5.8445 1.8642 0.31955 protocols.relax.FastRelax: CMD: min -50.9165 5.82514 1.8541 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.9165 5.82514 1.8541 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.4503 5.82514 1.8541 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.5981 5.82514 1.8541 0.55 protocols.relax.FastRelax: CMD: min -45.1161 5.89165 1.79356 0.55 protocols.relax.FastRelax: MRP: 1 -45.1161 -45.1161 5.89165 1.79356 protocols.relax.FastRelax: CMD: accept_to_best -45.1161 5.89165 1.79356 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.1161 5.89165 1.79356 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.1161 5.89165 1.79356 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3455 5.89165 1.79356 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.1662 5.89165 1.79356 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7341 5.89165 1.79356 0.02805 protocols.relax.FastRelax: CMD: min -75.5151 5.87746 1.84785 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.5151 5.87746 1.84785 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.1612 5.87746 1.84785 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.9846 5.87746 1.84785 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.7153 5.87746 1.84785 0.154 protocols.relax.FastRelax: CMD: min -61.4524 5.89452 1.77311 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4524 5.89452 1.77311 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5682 5.89452 1.77311 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.6132 5.89452 1.77311 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.8479 5.89452 1.77311 0.31955 protocols.relax.FastRelax: CMD: min -52.5993 5.91468 1.74308 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.5993 5.91468 1.74308 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.4436 5.91468 1.74308 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.542 5.91468 1.74308 0.55 protocols.relax.FastRelax: CMD: min -49.3188 5.92657 1.76536 0.55 protocols.relax.FastRelax: MRP: 2 -49.3188 -49.3188 5.92657 1.76536 protocols.relax.FastRelax: CMD: accept_to_best -49.3188 5.92657 1.76536 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.3188 5.92657 1.76536 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.3188 5.92657 1.76536 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7965 5.92657 1.76536 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.2941 5.92657 1.76536 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -68.8903 5.92657 1.76536 0.02805 protocols.relax.FastRelax: CMD: min -79.9522 5.90923 1.8819 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9522 5.90923 1.8819 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.8546 5.90923 1.8819 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.9027 5.90923 1.8819 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -50.1026 5.90923 1.8819 0.154 protocols.relax.FastRelax: CMD: min -65.4739 5.9246 1.7814 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4739 5.9246 1.7814 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5615 5.9246 1.7814 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.5624 5.9246 1.7814 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -54.7811 5.9246 1.7814 0.31955 protocols.relax.FastRelax: CMD: min -55.5938 5.90217 1.77296 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.5938 5.90217 1.77296 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.3951 5.90217 1.77296 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.4975 5.90217 1.77296 0.55 protocols.relax.FastRelax: CMD: min -49.7222 6.2562 1.7911 0.55 protocols.relax.FastRelax: MRP: 3 -49.7222 -49.7222 6.2562 1.7911 protocols.relax.FastRelax: CMD: accept_to_best -49.7222 6.2562 1.7911 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.7222 6.2562 1.7911 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.7222 6.2562 1.7911 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7934 6.2562 1.7911 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.3349 6.2562 1.7911 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9046 6.2562 1.7911 0.02805 protocols.relax.FastRelax: CMD: min -81.1324 6.0911 1.87867 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.1324 6.0911 1.87867 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.6149 6.0911 1.87867 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0788 6.0911 1.87867 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -52.3203 6.0911 1.87867 0.154 protocols.relax.FastRelax: CMD: min -66.2554 6.18999 1.807 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -66.2554 6.18999 1.807 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.7242 6.18999 1.807 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 527 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1182 6.18999 1.807 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.2882 6.18999 1.807 0.31955 protocols.relax.FastRelax: CMD: min -56.1123 6.17438 1.7983 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.1123 6.17438 1.7983 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.0494 6.17438 1.7983 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.5186 6.17438 1.7983 0.55 protocols.relax.FastRelax: CMD: min -49.8054 6.24017 1.77675 0.55 protocols.relax.FastRelax: MRP: 4 -49.8054 -49.8054 6.24017 1.77675 protocols.relax.FastRelax: CMD: accept_to_best -49.8054 6.24017 1.77675 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.8054 6.24017 1.77675 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_0.pdb protocols.relax.FastRelax: CMD: repeat 13541.4 5.7358 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13541.4 5.7358 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1558.59 5.7358 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 18.6285 5.7358 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 32.0133 5.7358 0 0.02805 protocols.relax.FastRelax: CMD: min -59.412 5.4514 4.12064 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -59.412 5.4514 4.12064 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5871 5.4514 4.12064 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.3597 5.4514 4.12064 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8468 5.4514 4.12064 0.154 protocols.relax.FastRelax: CMD: min -45.2581 5.54455 4.18257 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2581 5.54455 4.18257 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.8677 5.54455 4.18257 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.3512 5.54455 4.18257 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -30.2182 5.54455 4.18257 0.31955 protocols.relax.FastRelax: CMD: min -43.6904 5.45225 4.36753 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.6904 5.45225 4.36753 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.1679 5.45225 4.36753 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.175 5.45225 4.36753 0.55 protocols.relax.FastRelax: CMD: min -43.2483 5.59907 4.54449 0.55 protocols.relax.FastRelax: MRP: 0 -43.2483 -43.2483 5.59907 4.54449 protocols.relax.FastRelax: CMD: accept_to_best -43.2483 5.59907 4.54449 0.55 protocols.relax.FastRelax: CMD: endrepeat -43.2483 5.59907 4.54449 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -43.2483 5.59907 4.54449 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8786 5.59907 4.54449 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.9424 5.59907 4.54449 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5326 5.59907 4.54449 0.02805 protocols.relax.FastRelax: CMD: min -62.8094 5.60442 4.55419 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -62.8094 5.60442 4.55419 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.6989 5.60442 4.55419 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.2934 5.60442 4.55419 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.9109 5.60442 4.55419 0.154 protocols.relax.FastRelax: CMD: min -56.0345 5.60828 4.55894 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.0345 5.60828 4.55894 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.8312 5.60828 4.55894 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.0762 5.60828 4.55894 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.5359 5.60828 4.55894 0.31955 protocols.relax.FastRelax: CMD: min -48.5992 5.60882 4.55858 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.5992 5.60882 4.55858 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.3494 5.60882 4.55858 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.3632 5.60882 4.55858 0.55 protocols.relax.FastRelax: CMD: min -46.2728 5.61155 4.90014 0.55 protocols.relax.FastRelax: MRP: 1 -46.2728 -46.2728 5.61155 4.90014 protocols.relax.FastRelax: CMD: accept_to_best -46.2728 5.61155 4.90014 0.55 protocols.relax.FastRelax: CMD: endrepeat -46.2728 5.61155 4.90014 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -46.2728 5.61155 4.90014 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.3254 5.61155 4.90014 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.3838 5.61155 4.90014 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9372 5.61155 4.90014 0.02805 protocols.relax.FastRelax: CMD: min -65.233 5.61687 4.90652 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.233 5.61687 4.90652 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4208 5.61687 4.90652 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.171 5.61687 4.90652 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.8109 5.61687 4.90652 0.154 protocols.relax.FastRelax: CMD: min -58.9343 5.62069 4.90968 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.9343 5.62069 4.90968 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.1484 5.62069 4.90968 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.1633 5.62069 4.90968 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6462 5.62069 4.90968 0.31955 protocols.relax.FastRelax: CMD: min -51.6979 5.62157 4.90919 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.6979 5.62157 4.90919 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.8762 5.62157 4.90919 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.9133 5.62157 4.90919 0.55 protocols.relax.FastRelax: CMD: min -47.1489 5.68457 5.05703 0.55 protocols.relax.FastRelax: MRP: 2 -47.1489 -47.1489 5.68457 5.05703 protocols.relax.FastRelax: CMD: accept_to_best -47.1489 5.68457 5.05703 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.1489 5.68457 5.05703 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.1489 5.68457 5.05703 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3821 5.68457 5.05703 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.4366 5.68457 5.05703 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.016 5.68457 5.05703 0.02805 protocols.relax.FastRelax: CMD: min -66.3175 5.69032 5.06581 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.3175 5.69032 5.06581 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0087 5.69032 5.06581 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.2843 5.69032 5.06581 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9313 5.69032 5.06581 0.154 protocols.relax.FastRelax: CMD: min -60.0722 5.69469 5.07115 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.0722 5.69469 5.07115 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.4139 5.69469 5.07115 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.4225 5.69469 5.07115 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.8979 5.69469 5.07115 0.31955 protocols.relax.FastRelax: CMD: min -52.9408 5.69606 5.07279 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.9408 5.69606 5.07279 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.9644 5.69606 5.07279 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.1056 5.69606 5.07279 0.55 protocols.relax.FastRelax: CMD: min -47.1455 5.68888 5.06724 0.55 protocols.relax.FastRelax: MRP: 3 -47.1455 -47.1489 5.68457 5.05703 protocols.relax.FastRelax: CMD: accept_to_best -47.1455 5.68888 5.06724 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.1455 5.68888 5.06724 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.1455 5.68888 5.06724 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -64.345 5.68888 5.06724 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.4252 5.68888 5.06724 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0057 5.68888 5.06724 0.02805 protocols.relax.FastRelax: CMD: min -66.306 5.69462 5.07597 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.306 5.69462 5.07597 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0191 5.69462 5.07597 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3129 5.69462 5.07597 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9635 5.69462 5.07597 0.154 protocols.relax.FastRelax: CMD: min -60.103 5.69895 5.08116 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.103 5.69895 5.08116 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5107 5.69895 5.08116 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.5182 5.69895 5.08116 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.9988 5.69895 5.08116 0.31955 protocols.relax.FastRelax: CMD: min -53.0378 5.70025 5.08252 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.0378 5.70025 5.08252 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1567 5.70025 5.08252 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.2603 5.70025 5.08252 0.55 protocols.relax.FastRelax: CMD: min -47.1499 5.6899 5.06415 0.55 protocols.relax.FastRelax: MRP: 4 -47.1499 -47.1499 5.6899 5.06415 protocols.relax.FastRelax: CMD: accept_to_best -47.1499 5.6899 5.06415 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.1499 5.6899 5.06415 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_41.pdb protocols.relax.FastRelax: CMD: repeat 16117.5 9.3092 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16117.5 9.3092 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1686.25 9.3092 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 667 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.26848 9.3092 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 9.74493 9.3092 0 0.02805 protocols.relax.FastRelax: CMD: min -77.0673 8.44611 1.5192 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.0673 8.44611 1.5192 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.289 8.44611 1.5192 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.5631 8.44611 1.5192 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.7068 8.44611 1.5192 0.154 protocols.relax.FastRelax: CMD: min -59.6902 8.42355 1.67398 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.6902 8.42355 1.67398 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7583 8.42355 1.67398 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.1798 8.42355 1.67398 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8577 8.42355 1.67398 0.31955 protocols.relax.FastRelax: CMD: min -51.5138 8.32453 2.02959 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.5138 8.32453 2.02959 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -38.075 8.32453 2.02959 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.7511 8.32453 2.02959 0.55 protocols.relax.FastRelax: CMD: min -54.0154 8.70043 2.05449 0.55 protocols.relax.FastRelax: MRP: 0 -54.0154 -54.0154 8.70043 2.05449 protocols.relax.FastRelax: CMD: accept_to_best -54.0154 8.70043 2.05449 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.0154 8.70043 2.05449 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.0154 8.70043 2.05449 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7773 8.70043 2.05449 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 680 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.0479 8.70043 2.05449 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.0899 8.70043 2.05449 0.02805 protocols.relax.FastRelax: CMD: min -87.4147 8.72999 2.00205 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.4147 8.72999 2.00205 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.9432 8.72999 2.00205 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.1007 8.72999 2.00205 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6402 8.72999 2.00205 0.154 protocols.relax.FastRelax: CMD: min -76.1471 8.67843 1.97996 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.1471 8.67843 1.97996 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.3189 8.67843 1.97996 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.3193 8.67843 1.97996 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3078 8.67843 1.97996 0.31955 protocols.relax.FastRelax: CMD: min -63.7791 8.66237 1.99402 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7791 8.66237 1.99402 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.026 8.66237 1.99402 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.1229 8.66237 1.99402 0.55 protocols.relax.FastRelax: CMD: min -56.9114 8.66891 2.15908 0.55 protocols.relax.FastRelax: MRP: 1 -56.9114 -56.9114 8.66891 2.15908 protocols.relax.FastRelax: CMD: accept_to_best -56.9114 8.66891 2.15908 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.9114 8.66891 2.15908 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.9114 8.66891 2.15908 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7089 8.66891 2.15908 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 676 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.2692 8.66891 2.15908 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.2854 8.66891 2.15908 0.02805 protocols.relax.FastRelax: CMD: min -98.6292 8.66174 2.03636 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.6292 8.66174 2.03636 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.358 8.66174 2.03636 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.6807 8.66174 2.03636 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.3146 8.66174 2.03636 0.154 protocols.relax.FastRelax: CMD: min -78.561 8.63745 2.11166 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.561 8.63745 2.11166 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2485 8.63745 2.11166 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.2537 8.63745 2.11166 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.204 8.63745 2.11166 0.31955 protocols.relax.FastRelax: CMD: min -65.0679 8.63194 2.11758 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.0679 8.63194 2.11758 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8531 8.63194 2.11758 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.9648 8.63194 2.11758 0.55 protocols.relax.FastRelax: CMD: min -57.8697 8.61895 2.22871 0.55 protocols.relax.FastRelax: MRP: 2 -57.8697 -57.8697 8.61895 2.22871 protocols.relax.FastRelax: CMD: accept_to_best -57.8697 8.61895 2.22871 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8697 8.61895 2.22871 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8697 8.61895 2.22871 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.3632 8.61895 2.22871 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 672 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.4293 8.61895 2.22871 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9977 8.61895 2.22871 0.02805 protocols.relax.FastRelax: CMD: min -93.5916 8.67424 2.05021 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.5916 8.67424 2.05021 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.5118 8.67424 2.05021 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.0486 8.67424 2.05021 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2111 8.67424 2.05021 0.154 protocols.relax.FastRelax: CMD: min -78.0195 8.60848 2.15664 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.0195 8.60848 2.15664 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6453 8.60848 2.15664 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.8177 8.60848 2.15664 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7804 8.60848 2.15664 0.31955 protocols.relax.FastRelax: CMD: min -64.9221 8.60047 2.1618 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9221 8.60047 2.1618 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.4512 8.60047 2.1618 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.6815 8.60047 2.1618 0.55 protocols.relax.FastRelax: CMD: min -58.013 8.58554 2.28615 0.55 protocols.relax.FastRelax: MRP: 3 -58.013 -58.013 8.58554 2.28615 protocols.relax.FastRelax: CMD: accept_to_best -58.013 8.58554 2.28615 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.013 8.58554 2.28615 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.013 8.58554 2.28615 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.6304 8.58554 2.28615 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 666 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1126 8.58554 2.28615 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.9807 8.58554 2.28615 0.02805 protocols.relax.FastRelax: CMD: min -99.9584 8.5638 2.20122 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.9584 8.5638 2.20122 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.5713 8.5638 2.20122 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.2946 8.5638 2.20122 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5297 8.5638 2.20122 0.154 protocols.relax.FastRelax: CMD: min -79.9182 8.54305 2.2708 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9182 8.54305 2.2708 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8771 8.54305 2.2708 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 563 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.992 8.54305 2.2708 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7319 8.54305 2.2708 0.31955 protocols.relax.FastRelax: CMD: min -65.373 8.52261 2.29895 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.373 8.52261 2.29895 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.8487 8.52261 2.29895 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.5826 8.52261 2.29895 0.55 protocols.relax.FastRelax: CMD: min -58.0168 8.58362 2.29087 0.55 protocols.relax.FastRelax: MRP: 4 -58.0168 -58.0168 8.58362 2.29087 protocols.relax.FastRelax: CMD: accept_to_best -58.0168 8.58362 2.29087 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.0168 8.58362 2.29087 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_32.pdb protocols.relax.FastRelax: CMD: repeat 18402.9 8.54844 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 18402.9 8.54844 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1875.47 8.54844 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 667 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.3269 8.54844 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 7.1648 8.54844 0 0.02805 protocols.relax.FastRelax: CMD: min -95.3171 8.08751 1.62968 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.3171 8.08751 1.62968 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9646 8.08751 1.62968 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 636 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.5847 8.08751 1.62968 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1316 8.08751 1.62968 0.154 protocols.relax.FastRelax: CMD: min -78.8984 7.96387 1.7917 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.8984 7.96387 1.7917 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1461 7.96387 1.7917 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 615 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.9959 7.96387 1.7917 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6777 7.96387 1.7917 0.31955 protocols.relax.FastRelax: CMD: min -66.3391 7.92976 1.85382 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.3391 7.92976 1.85382 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4303 7.92976 1.85382 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.5236 7.92976 1.85382 0.55 protocols.relax.FastRelax: CMD: min -66.5798 7.67024 2.09034 0.55 protocols.relax.FastRelax: MRP: 0 -66.5798 -66.5798 7.67024 2.09034 protocols.relax.FastRelax: CMD: accept_to_best -66.5798 7.67024 2.09034 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.5798 7.67024 2.09034 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.5798 7.67024 2.09034 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.9545 7.67024 2.09034 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.0318 7.67024 2.09034 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.9025 7.67024 2.09034 0.02805 protocols.relax.FastRelax: CMD: min -107.091 7.78342 2.04668 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.091 7.78342 2.04668 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5879 7.78342 2.04668 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.7189 7.78342 2.04668 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.4995 7.78342 2.04668 0.154 protocols.relax.FastRelax: CMD: min -85.7137 7.60945 2.08883 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.7137 7.60945 2.08883 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5747 7.60945 2.08883 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 599 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.0203 7.60945 2.08883 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9371 7.60945 2.08883 0.31955 protocols.relax.FastRelax: CMD: min -73.1387 7.60006 2.07724 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.1387 7.60006 2.07724 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5483 7.60006 2.07724 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7139 7.60006 2.07724 0.55 protocols.relax.FastRelax: CMD: min -67.4267 7.47429 2.19177 0.55 protocols.relax.FastRelax: MRP: 1 -67.4267 -67.4267 7.47429 2.19177 protocols.relax.FastRelax: CMD: accept_to_best -67.4267 7.47429 2.19177 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.4267 7.47429 2.19177 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.4267 7.47429 2.19177 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.6879 7.47429 2.19177 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 625 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.2885 7.47429 2.19177 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.349 7.47429 2.19177 0.02805 protocols.relax.FastRelax: CMD: min -115.067 7.67981 2.15282 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.067 7.67981 2.15282 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.9756 7.67981 2.15282 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 675 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8183 7.67981 2.15282 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7631 7.67981 2.15282 0.154 protocols.relax.FastRelax: CMD: min -92.5963 7.59644 2.13102 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.5963 7.59644 2.13102 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5551 7.59644 2.13102 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 590 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.6434 7.59644 2.13102 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4192 7.59644 2.13102 0.31955 protocols.relax.FastRelax: CMD: min -78.2265 7.56063 2.10738 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.2265 7.56063 2.10738 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.1332 7.56063 2.10738 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.6287 7.56063 2.10738 0.55 protocols.relax.FastRelax: CMD: min -71.9499 7.52756 2.20675 0.55 protocols.relax.FastRelax: MRP: 2 -71.9499 -71.9499 7.52756 2.20675 protocols.relax.FastRelax: CMD: accept_to_best -71.9499 7.52756 2.20675 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.9499 7.52756 2.20675 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.9499 7.52756 2.20675 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.4505 7.52756 2.20675 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.8692 7.52756 2.20675 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.3597 7.52756 2.20675 0.02805 protocols.relax.FastRelax: CMD: min -109.571 7.65239 2.27869 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.571 7.65239 2.27869 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3677 7.65239 2.27869 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 626 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.4733 7.65239 2.27869 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.834 7.65239 2.27869 0.154 protocols.relax.FastRelax: CMD: min -90.9434 7.60313 2.25763 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.9434 7.60313 2.25763 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4531 7.60313 2.25763 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.2089 7.60313 2.25763 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0368 7.60313 2.25763 0.31955 protocols.relax.FastRelax: CMD: min -79.093 7.65816 2.17466 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.093 7.65816 2.17466 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3294 7.65816 2.17466 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.0173 7.65816 2.17466 0.55 protocols.relax.FastRelax: CMD: min -72.7932 7.67079 2.25932 0.55 protocols.relax.FastRelax: MRP: 3 -72.7932 -72.7932 7.67079 2.25932 protocols.relax.FastRelax: CMD: accept_to_best -72.7932 7.67079 2.25932 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.7932 7.67079 2.25932 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7932 7.67079 2.25932 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -97.3973 7.67079 2.25932 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.875 7.67079 2.25932 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.3084 7.67079 2.25932 0.02805 protocols.relax.FastRelax: CMD: min -122.737 7.94025 2.1615 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.737 7.94025 2.1615 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.4789 7.94025 2.1615 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 712 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.4408 7.94025 2.1615 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.2579 7.94025 2.1615 0.154 protocols.relax.FastRelax: CMD: min -97.7938 7.95785 2.14022 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -97.7938 7.95785 2.14022 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.4812 7.95785 2.14022 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 671 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.9007 7.95785 2.14022 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -80.6391 7.95785 2.14022 0.31955 protocols.relax.FastRelax: CMD: min -82.5226 7.97247 2.10896 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.5226 7.97247 2.10896 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2437 7.97247 2.10896 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 633 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.3034 7.97247 2.10896 0.55 protocols.relax.FastRelax: CMD: min -79.9466 7.98969 2.15966 0.55 protocols.relax.FastRelax: MRP: 4 -79.9466 -79.9466 7.98969 2.15966 protocols.relax.FastRelax: CMD: accept_to_best -79.9466 7.98969 2.15966 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.9466 7.98969 2.15966 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_27.pdb protocols.relax.FastRelax: CMD: repeat 17664.3 7.1086 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 17664.3 7.1086 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1867.82 7.1086 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.7775 7.1086 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -32.3261 7.1086 0 0.02805 protocols.relax.FastRelax: CMD: min -93.3331 7.21696 0.891702 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.3331 7.21696 0.891702 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.6966 7.21696 0.891702 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1721 7.21696 0.891702 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.9223 7.21696 0.891702 0.154 protocols.relax.FastRelax: CMD: min -75.4203 7.2615 1.26304 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.4203 7.2615 1.26304 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.318 7.2615 1.26304 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.6469 7.2615 1.26304 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4456 7.2615 1.26304 0.31955 protocols.relax.FastRelax: CMD: min -68.28 7.21067 1.34479 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.28 7.21067 1.34479 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3204 7.21067 1.34479 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.3664 7.21067 1.34479 0.55 protocols.relax.FastRelax: CMD: min -71.8213 7.1287 2.05272 0.55 protocols.relax.FastRelax: MRP: 0 -71.8213 -71.8213 7.1287 2.05272 protocols.relax.FastRelax: CMD: accept_to_best -71.8213 7.1287 2.05272 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.8213 7.1287 2.05272 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.8213 7.1287 2.05272 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.6526 7.1287 2.05272 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -100.868 7.1287 2.05272 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -99.9282 7.1287 2.05272 0.02805 protocols.relax.FastRelax: CMD: min -116.424 7.1372 2.19247 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.424 7.1372 2.19247 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6478 7.1372 2.19247 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.499 7.1372 2.19247 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.3802 7.1372 2.19247 0.154 protocols.relax.FastRelax: CMD: min -96.1704 7.09018 2.22938 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.1704 7.09018 2.22938 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.9988 7.09018 2.22938 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 531 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.4119 7.09018 2.22938 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1625 7.09018 2.22938 0.31955 protocols.relax.FastRelax: CMD: min -83.0988 7.06551 2.1231 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -83.0988 7.06551 2.1231 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.6714 7.06551 2.1231 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.6714 7.06551 2.1231 0.55 protocols.relax.FastRelax: CMD: min -75.9614 7.17949 2.11834 0.55 protocols.relax.FastRelax: MRP: 1 -75.9614 -75.9614 7.17949 2.11834 protocols.relax.FastRelax: CMD: accept_to_best -75.9614 7.17949 2.11834 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.9614 7.17949 2.11834 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.9614 7.17949 2.11834 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -99.9658 7.17949 2.11834 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.912 7.17949 2.11834 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.644 7.17949 2.11834 0.02805 protocols.relax.FastRelax: CMD: min -106.189 7.29171 2.09311 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.189 7.29171 2.09311 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0821 7.29171 2.09311 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.1396 7.29171 2.09311 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -92.2605 7.29171 2.09311 0.154 protocols.relax.FastRelax: CMD: min -95.1822 7.23747 2.07941 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -95.1822 7.23747 2.07941 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -84.0466 7.23747 2.07941 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.0475 7.23747 2.07941 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.1694 7.23747 2.07941 0.31955 protocols.relax.FastRelax: CMD: min -84.218 7.20973 2.07217 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.218 7.20973 2.07217 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0927 7.20973 2.07217 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.7903 7.20973 2.07217 0.55 protocols.relax.FastRelax: CMD: min -76.3887 7.19793 2.0889 0.55 protocols.relax.FastRelax: MRP: 2 -76.3887 -76.3887 7.19793 2.0889 protocols.relax.FastRelax: CMD: accept_to_best -76.3887 7.19793 2.0889 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.3887 7.19793 2.0889 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.3887 7.19793 2.0889 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -99.7221 7.19793 2.0889 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 577 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.894 7.19793 2.0889 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.231 7.19793 2.0889 0.02805 protocols.relax.FastRelax: CMD: min -120.732 7.24536 2.22307 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -120.732 7.24536 2.22307 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1261 7.24536 2.22307 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.1968 7.24536 2.22307 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.3618 7.24536 2.22307 0.154 protocols.relax.FastRelax: CMD: min -100.807 7.19401 2.13998 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.807 7.19401 2.13998 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.7112 7.19401 2.13998 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.7993 7.19401 2.13998 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -82.4706 7.19401 2.13998 0.31955 protocols.relax.FastRelax: CMD: min -85.9057 7.13937 2.13908 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9057 7.13937 2.13908 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6192 7.13937 2.13908 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.1048 7.13937 2.13908 0.55 protocols.relax.FastRelax: CMD: min -77.0584 7.19877 2.08335 0.55 protocols.relax.FastRelax: MRP: 3 -77.0584 -77.0584 7.19877 2.08335 protocols.relax.FastRelax: CMD: accept_to_best -77.0584 7.19877 2.08335 0.55 protocols.relax.FastRelax: CMD: endrepeat -77.0584 7.19877 2.08335 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -77.0584 7.19877 2.08335 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -101.656 7.19877 2.08335 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.743 7.19877 2.08335 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -102.995 7.19877 2.08335 0.02805 protocols.relax.FastRelax: CMD: min -122.903 7.14917 2.30994 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -122.903 7.14917 2.30994 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0773 7.14917 2.30994 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0518 7.14917 2.30994 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4721 7.14917 2.30994 0.154 protocols.relax.FastRelax: CMD: min -97.1517 7.1218 2.20689 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -97.1517 7.1218 2.20689 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.8434 7.1218 2.20689 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.9314 7.1218 2.20689 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4401 7.1218 2.20689 0.31955 protocols.relax.FastRelax: CMD: min -81.1451 7.10829 2.18183 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.1451 7.10829 2.18183 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8027 7.10829 2.18183 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.6505 7.10829 2.18183 0.55 protocols.relax.FastRelax: CMD: min -74.4688 7.07012 2.12301 0.55 protocols.relax.FastRelax: MRP: 4 -74.4688 -77.0584 7.19877 2.08335 protocols.relax.FastRelax: CMD: accept_to_best -74.4688 7.07012 2.12301 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.4688 7.07012 2.12301 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_48.pdb protocols.relax.FastRelax: CMD: repeat 13250.2 6.97026 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 13250.2 6.97026 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1711.42 6.97026 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.1886 6.97026 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -11.519 6.97026 0 0.02805 protocols.relax.FastRelax: CMD: min -47.7262 7.09278 2.18866 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -47.7262 7.09278 2.18866 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -14.5715 7.09278 2.18866 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 664 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.9704 7.09278 2.18866 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.5913 7.09278 2.18866 0.154 protocols.relax.FastRelax: CMD: min -56.176 7.44907 2.6251 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.176 7.44907 2.6251 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.197 7.44907 2.6251 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 695 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.901 7.44907 2.6251 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8591 7.44907 2.6251 0.31955 protocols.relax.FastRelax: CMD: min -51.382 7.51818 2.67098 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.382 7.51818 2.67098 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.0189 7.51818 2.67098 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 704 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.0962 7.51818 2.67098 0.55 protocols.relax.FastRelax: CMD: min -55.8815 7.46567 2.56962 0.55 protocols.relax.FastRelax: MRP: 0 -55.8815 -55.8815 7.46567 2.56962 protocols.relax.FastRelax: CMD: accept_to_best -55.8815 7.46567 2.56962 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.8815 7.46567 2.56962 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8815 7.46567 2.56962 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.2392 7.46567 2.56962 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 894 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.2802 7.46567 2.56962 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.3659 7.46567 2.56962 0.02805 protocols.relax.FastRelax: CMD: min -94.6164 7.54274 2.8473 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.6164 7.54274 2.8473 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.0155 7.54274 2.8473 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 803 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.8446 7.54274 2.8473 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2768 7.54274 2.8473 0.154 protocols.relax.FastRelax: CMD: min -74.1026 7.50054 2.6832 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.1026 7.50054 2.6832 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3483 7.50054 2.6832 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 771 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.0802 7.50054 2.6832 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1763 7.50054 2.6832 0.31955 protocols.relax.FastRelax: CMD: min -63.6385 7.45753 2.60169 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.6385 7.45753 2.60169 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.7241 7.45753 2.60169 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 750 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7511 7.45753 2.60169 0.55 protocols.relax.FastRelax: CMD: min -59.0843 7.49189 2.57031 0.55 protocols.relax.FastRelax: MRP: 1 -59.0843 -59.0843 7.49189 2.57031 protocols.relax.FastRelax: CMD: accept_to_best -59.0843 7.49189 2.57031 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.0843 7.49189 2.57031 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.0843 7.49189 2.57031 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9998 7.49189 2.57031 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 875 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.261 7.49189 2.57031 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.5684 7.49189 2.57031 0.02805 protocols.relax.FastRelax: CMD: min -88.3054 7.56698 2.89401 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.3054 7.56698 2.89401 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.6075 7.56698 2.89401 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 773 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.7871 7.56698 2.89401 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.2692 7.56698 2.89401 0.154 protocols.relax.FastRelax: CMD: min -73.1136 7.55686 2.72921 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.1136 7.55686 2.72921 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8991 7.55686 2.72921 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 766 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.6203 7.55686 2.72921 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6086 7.55686 2.72921 0.31955 protocols.relax.FastRelax: CMD: min -67.795 7.50804 2.60677 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.795 7.50804 2.60677 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.2053 7.50804 2.60677 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 747 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.2575 7.50804 2.60677 0.55 protocols.relax.FastRelax: CMD: min -60.9651 7.48585 2.5749 0.55 protocols.relax.FastRelax: MRP: 2 -60.9651 -60.9651 7.48585 2.5749 protocols.relax.FastRelax: CMD: accept_to_best -60.9651 7.48585 2.5749 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.9651 7.48585 2.5749 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.9651 7.48585 2.5749 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9075 7.48585 2.5749 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 875 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.9707 7.48585 2.5749 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.3082 7.48585 2.5749 0.02805 protocols.relax.FastRelax: CMD: min -97.2201 7.55668 2.87856 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.2201 7.55668 2.87856 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4836 7.55668 2.87856 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 792 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.2675 7.55668 2.87856 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2921 7.55668 2.87856 0.154 protocols.relax.FastRelax: CMD: min -78.2111 7.51742 2.71142 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.2111 7.51742 2.71142 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2186 7.51742 2.71142 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 762 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.4347 7.51742 2.71142 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.4367 7.51742 2.71142 0.31955 protocols.relax.FastRelax: CMD: min -68.4502 7.50051 2.61406 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.4502 7.50051 2.61406 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.5254 7.50051 2.61406 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 741 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.6007 7.50051 2.61406 0.55 protocols.relax.FastRelax: CMD: min -60.9672 7.49367 2.6006 0.55 protocols.relax.FastRelax: MRP: 3 -60.9672 -60.9672 7.49367 2.6006 protocols.relax.FastRelax: CMD: accept_to_best -60.9672 7.49367 2.6006 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.9672 7.49367 2.6006 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.9672 7.49367 2.6006 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8213 7.49367 2.6006 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 872 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.9167 7.49367 2.6006 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.2557 7.49367 2.6006 0.02805 protocols.relax.FastRelax: CMD: min -92.7943 7.63216 2.86092 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.7943 7.63216 2.86092 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.3655 7.63216 2.86092 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 792 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5634 7.63216 2.86092 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3597 7.63216 2.86092 0.154 protocols.relax.FastRelax: CMD: min -79.7853 7.55257 2.70743 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.7853 7.55257 2.70743 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.811 7.55257 2.70743 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 753 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.811 7.55257 2.70743 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.9457 7.55257 2.70743 0.31955 protocols.relax.FastRelax: CMD: min -69.8215 7.51079 2.61046 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.8215 7.51079 2.61046 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.185 7.51079 2.61046 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 739 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.1907 7.51079 2.61046 0.55 protocols.relax.FastRelax: CMD: min -60.9668 7.49169 2.60022 0.55 protocols.relax.FastRelax: MRP: 4 -60.9668 -60.9672 7.49367 2.6006 protocols.relax.FastRelax: CMD: accept_to_best -60.9668 7.49169 2.60022 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.9668 7.49169 2.60022 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_35.pdb protocols.relax.FastRelax: CMD: repeat 15560.5 9.33944 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15560.5 9.33944 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1753.84 9.33944 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 53.4296 9.33944 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 73.7641 9.33944 0 0.02805 protocols.relax.FastRelax: CMD: min -77.1777 9.30184 1.88348 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.1777 9.30184 1.88348 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 12.6931 9.30184 1.88348 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 594 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -5.13649 9.30184 1.88348 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -0.256961 9.30184 1.88348 0.154 protocols.relax.FastRelax: CMD: min -68.2398 9.62138 1.77058 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.2398 9.62138 1.77058 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -50.734 9.62138 1.77058 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 571 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.7596 9.62138 1.77058 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.3943 9.62138 1.77058 0.31955 protocols.relax.FastRelax: CMD: min -54.458 9.63041 1.71191 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.458 9.63041 1.71191 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.9012 9.63041 1.71191 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 562 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.9071 9.63041 1.71191 0.55 protocols.relax.FastRelax: CMD: min -60.5115 10.0569 2.28541 0.55 protocols.relax.FastRelax: MRP: 0 -60.5115 -60.5115 10.0569 2.28541 protocols.relax.FastRelax: CMD: accept_to_best -60.5115 10.0569 2.28541 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.5115 10.0569 2.28541 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.5115 10.0569 2.28541 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.7038 10.0569 2.28541 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 560 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.4501 10.0569 2.28541 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4142 10.0569 2.28541 0.02805 protocols.relax.FastRelax: CMD: min -104.23 9.99545 2.39828 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.23 9.99545 2.39828 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8236 9.99545 2.39828 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 626 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.6141 9.99545 2.39828 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2762 9.99545 2.39828 0.154 protocols.relax.FastRelax: CMD: min -80.5342 9.94392 2.06719 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.5342 9.94392 2.06719 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8542 9.94392 2.06719 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.7163 9.94392 2.06719 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6579 9.94392 2.06719 0.31955 protocols.relax.FastRelax: CMD: min -69.457 9.97998 2.04755 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.457 9.97998 2.04755 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3292 9.97998 2.04755 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.4493 9.97998 2.04755 0.55 protocols.relax.FastRelax: CMD: min -63.4828 9.85158 1.85638 0.55 protocols.relax.FastRelax: MRP: 1 -63.4828 -63.4828 9.85158 1.85638 protocols.relax.FastRelax: CMD: accept_to_best -63.4828 9.85158 1.85638 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.4828 9.85158 1.85638 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.4828 9.85158 1.85638 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.3463 9.85158 1.85638 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.0083 9.85158 1.85638 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.0677 9.85158 1.85638 0.02805 protocols.relax.FastRelax: CMD: min -108.11 9.95441 2.25924 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.11 9.95441 2.25924 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.7019 9.95441 2.25924 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 643 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.9105 9.95441 2.25924 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5473 9.95441 2.25924 0.154 protocols.relax.FastRelax: CMD: min -84.1391 9.90065 1.97627 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.1391 9.90065 1.97627 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6202 9.90065 1.97627 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.6202 9.90065 1.97627 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.4754 9.90065 1.97627 0.31955 protocols.relax.FastRelax: CMD: min -71.354 9.92121 1.94161 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.354 9.92121 1.94161 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8359 9.92121 1.94161 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.8478 9.92121 1.94161 0.55 protocols.relax.FastRelax: CMD: min -64.856 9.94884 1.93363 0.55 protocols.relax.FastRelax: MRP: 2 -64.856 -64.856 9.94884 1.93363 protocols.relax.FastRelax: CMD: accept_to_best -64.856 9.94884 1.93363 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.856 9.94884 1.93363 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.856 9.94884 1.93363 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.0282 9.94884 1.93363 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.7068 9.94884 1.93363 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9899 9.94884 1.93363 0.02805 protocols.relax.FastRelax: CMD: min -93.2687 9.88702 2.04618 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.2687 9.88702 2.04618 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.2253 9.88702 2.04618 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.8088 9.88702 2.04618 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7752 9.88702 2.04618 0.154 protocols.relax.FastRelax: CMD: min -81.5702 9.96826 2.02255 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.5702 9.96826 2.02255 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6318 9.96826 2.02255 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.7421 9.96826 2.02255 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9052 9.96826 2.02255 0.31955 protocols.relax.FastRelax: CMD: min -72.284 9.9948 2.02305 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.284 9.9948 2.02305 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4077 9.9948 2.02305 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.772 9.9948 2.02305 0.55 protocols.relax.FastRelax: CMD: min -65.8148 9.95732 1.96245 0.55 protocols.relax.FastRelax: MRP: 3 -65.8148 -65.8148 9.95732 1.96245 protocols.relax.FastRelax: CMD: accept_to_best -65.8148 9.95732 1.96245 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.8148 9.95732 1.96245 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.8148 9.95732 1.96245 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.302 9.95732 1.96245 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.0501 9.95732 1.96245 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.3747 9.95732 1.96245 0.02805 protocols.relax.FastRelax: CMD: min -102.054 10.0193 2.26755 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.054 10.0193 2.26755 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.2432 10.0193 2.26755 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8525 10.0193 2.26755 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1301 10.0193 2.26755 0.154 protocols.relax.FastRelax: CMD: min -85.7549 10.0081 2.09765 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.7549 10.0081 2.09765 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8013 10.0081 2.09765 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.8851 10.0081 2.09765 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.7939 10.0081 2.09765 0.31955 protocols.relax.FastRelax: CMD: min -74.165 9.99963 2.02057 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.165 9.99963 2.02057 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3139 9.99963 2.02057 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3882 9.99963 2.02057 0.55 protocols.relax.FastRelax: CMD: min -66.4412 9.97418 2.03999 0.55 protocols.relax.FastRelax: MRP: 4 -66.4412 -66.4412 9.97418 2.03999 protocols.relax.FastRelax: CMD: accept_to_best -66.4412 9.97418 2.03999 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.4412 9.97418 2.03999 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_6.pdb protocols.relax.FastRelax: CMD: repeat 14130.3 8.94528 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14130.3 8.94528 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1713.31 8.94528 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 24.0932 8.94528 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 31.0298 8.94528 0 0.02805 protocols.relax.FastRelax: CMD: min -41.1212 9.15417 1.91263 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -41.1212 9.15417 1.91263 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -13.5614 9.15417 1.91263 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.5928 9.15417 1.91263 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -15.9638 9.15417 1.91263 0.154 protocols.relax.FastRelax: CMD: min -29.6587 9.12535 1.99314 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -29.6587 9.12535 1.99314 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -19.0729 9.12535 1.99314 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.1828 9.12535 1.99314 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -18.3559 9.12535 1.99314 0.31955 protocols.relax.FastRelax: CMD: min -30.7921 9.13403 2.13417 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -30.7921 9.13403 2.13417 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.9681 9.13403 2.13417 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.9359 9.13403 2.13417 0.55 protocols.relax.FastRelax: CMD: min -32.074 8.98159 2.26966 0.55 protocols.relax.FastRelax: MRP: 0 -32.074 -32.074 8.98159 2.26966 protocols.relax.FastRelax: CMD: accept_to_best -32.074 8.98159 2.26966 0.55 protocols.relax.FastRelax: CMD: endrepeat -32.074 8.98159 2.26966 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -32.074 8.98159 2.26966 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7415 8.98159 2.26966 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.3244 8.98159 2.26966 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4216 8.98159 2.26966 0.02805 protocols.relax.FastRelax: CMD: min -56.9511 8.9409 2.52174 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -56.9511 8.9409 2.52174 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.3097 8.9409 2.52174 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.9857 8.9409 2.52174 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2807 8.9409 2.52174 0.154 protocols.relax.FastRelax: CMD: min -45.2454 8.97187 2.50863 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2454 8.97187 2.50863 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.1336 8.97187 2.50863 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2342 8.97187 2.50863 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4902 8.97187 2.50863 0.31955 protocols.relax.FastRelax: CMD: min -38.6476 8.98638 2.51362 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -38.6476 8.98638 2.51362 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.9337 8.98638 2.51362 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.0989 8.98638 2.51362 0.55 protocols.relax.FastRelax: CMD: min -40.735 9.22398 3.06897 0.55 protocols.relax.FastRelax: MRP: 1 -40.735 -40.735 9.22398 3.06897 protocols.relax.FastRelax: CMD: accept_to_best -40.735 9.22398 3.06897 0.55 protocols.relax.FastRelax: CMD: endrepeat -40.735 9.22398 3.06897 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -40.735 9.22398 3.06897 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -56.593 9.22398 3.06897 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.5204 9.22398 3.06897 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1302 9.22398 3.06897 0.02805 protocols.relax.FastRelax: CMD: min -63.7827 9.16363 3.26388 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7827 9.16363 3.26388 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -20.565 9.16363 3.26388 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.5948 9.16363 3.26388 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.1938 9.16363 3.26388 0.154 protocols.relax.FastRelax: CMD: min -51.9486 9.2236 3.14986 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -51.9486 9.2236 3.14986 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9831 9.2236 3.14986 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.2213 9.2236 3.14986 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.5189 9.2236 3.14986 0.31955 protocols.relax.FastRelax: CMD: min -45.4475 9.22822 3.11244 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.4475 9.22822 3.11244 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9336 9.22822 3.11244 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.7061 9.22822 3.11244 0.55 protocols.relax.FastRelax: CMD: min -42.4841 9.25668 3.11158 0.55 protocols.relax.FastRelax: MRP: 2 -42.4841 -42.4841 9.25668 3.11158 protocols.relax.FastRelax: CMD: accept_to_best -42.4841 9.25668 3.11158 0.55 protocols.relax.FastRelax: CMD: endrepeat -42.4841 9.25668 3.11158 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -42.4841 9.25668 3.11158 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -58.5464 9.25668 3.11158 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.4426 9.25668 3.11158 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -60.1492 9.25668 3.11158 0.02805 protocols.relax.FastRelax: CMD: min -72.934 9.24662 3.39226 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.934 9.24662 3.39226 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.6713 9.24662 3.39226 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.3615 9.24662 3.39226 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -41.5923 9.24662 3.39226 0.154 protocols.relax.FastRelax: CMD: min -58.1987 9.27018 3.28063 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.1987 9.27018 3.28063 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9635 9.27018 3.28063 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 442 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.5217 9.27018 3.28063 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -47.6691 9.27018 3.28063 0.31955 protocols.relax.FastRelax: CMD: min -48.8659 9.27725 3.25271 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.8659 9.27725 3.25271 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.207 9.27725 3.25271 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.5912 9.27725 3.25271 0.55 protocols.relax.FastRelax: CMD: min -54.6879 8.91253 3.45354 0.55 protocols.relax.FastRelax: MRP: 3 -54.6879 -54.6879 8.91253 3.45354 protocols.relax.FastRelax: CMD: accept_to_best -54.6879 8.91253 3.45354 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.6879 8.91253 3.45354 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.6879 8.91253 3.45354 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9098 8.91253 3.45354 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.4677 8.91253 3.45354 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2342 8.91253 3.45354 0.02805 protocols.relax.FastRelax: CMD: min -83.1883 9.00254 3.70464 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1883 9.00254 3.70464 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0486 9.00254 3.70464 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.9228 9.00254 3.70464 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1733 9.00254 3.70464 0.154 protocols.relax.FastRelax: CMD: min -69.8052 8.9695 3.57391 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.8052 8.9695 3.57391 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.7295 8.9695 3.57391 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.8104 8.9695 3.57391 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.9454 8.9695 3.57391 0.31955 protocols.relax.FastRelax: CMD: min -58.7824 8.96725 3.53796 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.7824 8.96725 3.53796 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9715 8.96725 3.53796 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.5145 8.96725 3.53796 0.55 protocols.relax.FastRelax: CMD: min -54.4838 8.88749 3.48475 0.55 protocols.relax.FastRelax: MRP: 4 -54.4838 -54.6879 8.91253 3.45354 protocols.relax.FastRelax: CMD: accept_to_best -54.4838 8.88749 3.48475 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.4838 8.88749 3.48475 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_42.pdb protocols.relax.FastRelax: CMD: repeat 18014.8 9.6213 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 18014.8 9.6213 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1879.69 9.6213 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.6674 9.6213 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -14.5241 9.6213 0 0.02805 protocols.relax.FastRelax: CMD: min -63.89 9.24192 0.934834 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.89 9.24192 0.934834 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.6087 9.24192 0.934834 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 461 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.4273 9.24192 0.934834 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7864 9.24192 0.934834 0.154 protocols.relax.FastRelax: CMD: min -54.405 9.25101 1.05765 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -54.405 9.25101 1.05765 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2236 9.25101 1.05765 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6755 9.25101 1.05765 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.809 9.25101 1.05765 0.31955 protocols.relax.FastRelax: CMD: min -43.4088 9.24459 1.05474 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4088 9.24459 1.05474 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.0075 9.24459 1.05474 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.0208 9.24459 1.05474 0.55 protocols.relax.FastRelax: CMD: min -51.5049 9.10579 1.88148 0.55 protocols.relax.FastRelax: MRP: 0 -51.5049 -51.5049 9.10579 1.88148 protocols.relax.FastRelax: CMD: accept_to_best -51.5049 9.10579 1.88148 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.5049 9.10579 1.88148 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.5049 9.10579 1.88148 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2305 9.10579 1.88148 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.6057 9.10579 1.88148 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.2927 9.10579 1.88148 0.02805 protocols.relax.FastRelax: CMD: min -81.4308 9.01534 1.99194 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4308 9.01534 1.99194 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.327 9.01534 1.99194 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1001 9.01534 1.99194 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.688 9.01534 1.99194 0.154 protocols.relax.FastRelax: CMD: min -63.8372 8.97747 2.0091 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.8372 8.97747 2.0091 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3128 8.97747 2.0091 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 408 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.0983 8.97747 2.0091 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.7664 8.97747 2.0091 0.31955 protocols.relax.FastRelax: CMD: min -59.6697 9.02245 1.9362 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.6697 9.02245 1.9362 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.2031 9.02245 1.9362 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 412 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.2361 9.02245 1.9362 0.55 protocols.relax.FastRelax: CMD: min -52.7618 9.10014 1.99568 0.55 protocols.relax.FastRelax: MRP: 1 -52.7618 -52.7618 9.10014 1.99568 protocols.relax.FastRelax: CMD: accept_to_best -52.7618 9.10014 1.99568 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.7618 9.10014 1.99568 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.7618 9.10014 1.99568 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5073 9.10014 1.99568 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.7749 9.10014 1.99568 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0872 9.10014 1.99568 0.02805 protocols.relax.FastRelax: CMD: min -72.8328 9.1258 1.9486 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8328 9.1258 1.9486 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.5834 9.1258 1.9486 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 418 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.0379 9.1258 1.9486 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0779 9.1258 1.9486 0.154 protocols.relax.FastRelax: CMD: min -68.2397 9.05892 2.02913 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.2397 9.05892 2.02913 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5999 9.05892 2.02913 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.8946 9.05892 2.02913 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2525 9.05892 2.02913 0.31955 protocols.relax.FastRelax: CMD: min -59.672 9.04938 2.04187 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.672 9.04938 2.04187 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.2633 9.04938 2.04187 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.516 9.04938 2.04187 0.55 protocols.relax.FastRelax: CMD: min -55.2691 8.6858 2.38479 0.55 protocols.relax.FastRelax: MRP: 2 -55.2691 -55.2691 8.6858 2.38479 protocols.relax.FastRelax: CMD: accept_to_best -55.2691 8.6858 2.38479 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.2691 8.6858 2.38479 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.2691 8.6858 2.38479 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.0359 8.6858 2.38479 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 424 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.4087 8.6858 2.38479 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7301 8.6858 2.38479 0.02805 protocols.relax.FastRelax: CMD: min -75.641 8.78516 2.38973 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -75.641 8.78516 2.38973 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.7416 8.78516 2.38973 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 420 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.224 8.78516 2.38973 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.869 8.78516 2.38973 0.154 protocols.relax.FastRelax: CMD: min -69.077 8.79211 2.31121 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.077 8.79211 2.31121 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6302 8.79211 2.31121 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.1469 8.79211 2.31121 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4385 8.79211 2.31121 0.31955 protocols.relax.FastRelax: CMD: min -60.4456 8.76556 2.32265 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.4456 8.76556 2.32265 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7727 8.76556 2.32265 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.9258 8.76556 2.32265 0.55 protocols.relax.FastRelax: CMD: min -55.5422 8.7579 2.33675 0.55 protocols.relax.FastRelax: MRP: 3 -55.5422 -55.5422 8.7579 2.33675 protocols.relax.FastRelax: CMD: accept_to_best -55.5422 8.7579 2.33675 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.5422 8.7579 2.33675 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.5422 8.7579 2.33675 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2733 8.7579 2.33675 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.1004 8.7579 2.33675 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8523 8.7579 2.33675 0.02805 protocols.relax.FastRelax: CMD: min -83.1147 8.87558 2.26301 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1147 8.87558 2.26301 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -56.2909 8.87558 2.26301 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.7975 8.87558 2.26301 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0249 8.87558 2.26301 0.154 protocols.relax.FastRelax: CMD: min -71.4522 8.74211 2.38474 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.4522 8.74211 2.38474 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7893 8.74211 2.38474 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.7933 8.74211 2.38474 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1104 8.74211 2.38474 0.31955 protocols.relax.FastRelax: CMD: min -62.3402 8.75096 2.3738 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.3402 8.75096 2.3738 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6478 8.75096 2.3738 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 411 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.6499 8.75096 2.3738 0.55 protocols.relax.FastRelax: CMD: min -55.5673 8.74592 2.34381 0.55 protocols.relax.FastRelax: MRP: 4 -55.5673 -55.5673 8.74592 2.34381 protocols.relax.FastRelax: CMD: accept_to_best -55.5673 8.74592 2.34381 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.5673 8.74592 2.34381 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_40.pdb protocols.relax.FastRelax: CMD: repeat 15995.1 6.61386 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15995.1 6.61386 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1760.92 6.61386 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -8.04905 6.61386 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 7.88038 6.61386 0 0.02805 protocols.relax.FastRelax: CMD: min -80.7696 6.15855 1.38397 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.7696 6.15855 1.38397 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -37.6157 6.15855 1.38397 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.8475 6.15855 1.38397 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.4074 6.15855 1.38397 0.154 protocols.relax.FastRelax: CMD: min -73.6049 5.97718 1.70398 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6049 5.97718 1.70398 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.8124 5.97718 1.70398 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.8533 5.97718 1.70398 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.8266 5.97718 1.70398 0.31955 protocols.relax.FastRelax: CMD: min -63.4497 5.99656 1.72756 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.4497 5.99656 1.72756 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.4835 5.99656 1.72756 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.004 5.99656 1.72756 0.55 protocols.relax.FastRelax: CMD: min -63.8899 5.98282 1.86451 0.55 protocols.relax.FastRelax: MRP: 0 -63.8899 -63.8899 5.98282 1.86451 protocols.relax.FastRelax: CMD: accept_to_best -63.8899 5.98282 1.86451 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.8899 5.98282 1.86451 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.8899 5.98282 1.86451 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.0119 5.98282 1.86451 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.2006 5.98282 1.86451 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.8223 5.98282 1.86451 0.02805 protocols.relax.FastRelax: CMD: min -99.3965 6.04749 1.69133 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.3965 6.04749 1.69133 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1616 6.04749 1.69133 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.4872 6.04749 1.69133 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8631 6.04749 1.69133 0.154 protocols.relax.FastRelax: CMD: min -84.7709 6.05793 1.74561 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.7709 6.05793 1.74561 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.3089 6.05793 1.74561 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.3175 6.05793 1.74561 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.4128 6.05793 1.74561 0.31955 protocols.relax.FastRelax: CMD: min -74.7135 6.01925 1.7967 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7135 6.01925 1.7967 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1927 6.01925 1.7967 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 480 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.1948 6.01925 1.7967 0.55 protocols.relax.FastRelax: CMD: min -67.2092 5.88751 1.9219 0.55 protocols.relax.FastRelax: MRP: 1 -67.2092 -67.2092 5.88751 1.9219 protocols.relax.FastRelax: CMD: accept_to_best -67.2092 5.88751 1.9219 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.2092 5.88751 1.9219 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.2092 5.88751 1.9219 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.8937 5.88751 1.9219 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.1278 5.88751 1.9219 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.791 5.88751 1.9219 0.02805 protocols.relax.FastRelax: CMD: min -99.7475 6.00954 1.66454 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.7475 6.00954 1.66454 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.655 6.00954 1.66454 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.7993 6.00954 1.66454 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1507 6.00954 1.66454 0.154 protocols.relax.FastRelax: CMD: min -85.8845 6.00144 1.72233 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.8845 6.00144 1.72233 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.3354 6.00144 1.72233 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.3392 6.00144 1.72233 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4308 6.00144 1.72233 0.31955 protocols.relax.FastRelax: CMD: min -74.5817 5.99804 1.72663 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.5817 5.99804 1.72663 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9489 5.99804 1.72663 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.9598 5.99804 1.72663 0.55 protocols.relax.FastRelax: CMD: min -69.543 5.72001 2.16949 0.55 protocols.relax.FastRelax: MRP: 2 -69.543 -69.543 5.72001 2.16949 protocols.relax.FastRelax: CMD: accept_to_best -69.543 5.72001 2.16949 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.543 5.72001 2.16949 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.543 5.72001 2.16949 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.0501 5.72001 2.16949 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.1163 5.72001 2.16949 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.8237 5.72001 2.16949 0.02805 protocols.relax.FastRelax: CMD: min -102.203 5.70439 1.99829 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.203 5.70439 1.99829 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4935 5.70439 1.99829 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 498 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6334 5.70439 1.99829 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0427 5.70439 1.99829 0.154 protocols.relax.FastRelax: CMD: min -85.7638 5.7269 2.02674 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.7638 5.7269 2.02674 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5703 5.7269 2.02674 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.2809 5.7269 2.02674 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4259 5.7269 2.02674 0.31955 protocols.relax.FastRelax: CMD: min -77.9715 5.88571 1.82989 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9715 5.88571 1.82989 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6307 5.88571 1.82989 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.6887 5.88571 1.82989 0.55 protocols.relax.FastRelax: CMD: min -72.444 5.90056 1.71538 0.55 protocols.relax.FastRelax: MRP: 3 -72.444 -72.444 5.90056 1.71538 protocols.relax.FastRelax: CMD: accept_to_best -72.444 5.90056 1.71538 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.444 5.90056 1.71538 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.444 5.90056 1.71538 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.074 5.90056 1.71538 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.1758 5.90056 1.71538 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.9118 5.90056 1.71538 0.02805 protocols.relax.FastRelax: CMD: min -104.619 6.00577 1.54701 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.619 6.00577 1.54701 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -80.2981 6.00577 1.54701 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.4612 6.00577 1.54701 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.0647 6.00577 1.54701 0.154 protocols.relax.FastRelax: CMD: min -90.8201 5.97104 1.58802 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.8201 5.97104 1.58802 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.911 5.97104 1.58802 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.9246 5.97104 1.58802 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.986 5.97104 1.58802 0.31955 protocols.relax.FastRelax: CMD: min -79.223 5.97105 1.59234 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.223 5.97105 1.59234 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5291 5.97105 1.59234 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.8495 5.97105 1.59234 0.55 protocols.relax.FastRelax: CMD: min -72.3078 6.06848 1.58961 0.55 protocols.relax.FastRelax: MRP: 4 -72.3078 -72.444 5.90056 1.71538 protocols.relax.FastRelax: CMD: accept_to_best -72.3078 6.06848 1.58961 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.3078 6.06848 1.58961 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_37.pdb protocols.relax.FastRelax: CMD: repeat 11085.3 6.34845 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11085.3 6.34845 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1554.76 6.34845 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 710 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 16.1386 6.34845 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 30.0562 6.34845 0 0.02805 protocols.relax.FastRelax: CMD: min -22.0674 6.90622 3.04244 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -22.0674 6.90622 3.04244 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 275.378 6.90622 3.04244 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 89.8246 6.90622 3.04244 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 99.6618 6.90622 3.04244 0.154 protocols.relax.FastRelax: CMD: min -65.21 6.80232 2.85317 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.21 6.80232 2.85317 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9016 6.80232 2.85317 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 610 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.3215 6.80232 2.85317 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.9877 6.80232 2.85317 0.31955 protocols.relax.FastRelax: CMD: min -51.4516 6.78114 2.81261 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.4516 6.78114 2.81261 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.6154 6.78114 2.81261 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.6199 6.78114 2.81261 0.55 protocols.relax.FastRelax: CMD: min -50.471 6.89718 3.15552 0.55 protocols.relax.FastRelax: MRP: 0 -50.471 -50.471 6.89718 3.15552 protocols.relax.FastRelax: CMD: accept_to_best -50.471 6.89718 3.15552 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.471 6.89718 3.15552 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -50.471 6.89718 3.15552 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1014 6.89718 3.15552 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 717 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.4416 6.89718 3.15552 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7019 6.89718 3.15552 0.02805 protocols.relax.FastRelax: CMD: min -102.879 7.0149 3.19802 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.879 7.0149 3.19802 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.229 7.0149 3.19802 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 654 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.8421 7.0149 3.19802 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6355 7.0149 3.19802 0.154 protocols.relax.FastRelax: CMD: min -75.3565 6.95906 3.18547 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.3565 6.95906 3.18547 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.282 6.95906 3.18547 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.5671 6.95906 3.18547 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1416 6.95906 3.18547 0.31955 protocols.relax.FastRelax: CMD: min -61.4151 6.93955 3.12405 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4151 6.93955 3.12405 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.7043 6.93955 3.12405 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 645 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.8239 6.93955 3.12405 0.55 protocols.relax.FastRelax: CMD: min -55.5145 6.98196 3.35686 0.55 protocols.relax.FastRelax: MRP: 1 -55.5145 -55.5145 6.98196 3.35686 protocols.relax.FastRelax: CMD: accept_to_best -55.5145 6.98196 3.35686 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.5145 6.98196 3.35686 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.5145 6.98196 3.35686 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6908 6.98196 3.35686 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 719 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5917 6.98196 3.35686 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.7114 6.98196 3.35686 0.02805 protocols.relax.FastRelax: CMD: min -101.454 7.07078 3.44519 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.454 7.07078 3.44519 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.2771 7.07078 3.44519 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 653 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.5666 7.07078 3.44519 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2459 7.07078 3.44519 0.154 protocols.relax.FastRelax: CMD: min -79.6038 7.01841 3.38349 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.6038 7.01841 3.38349 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.8372 7.01841 3.38349 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 637 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.541 7.01841 3.38349 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.1579 7.01841 3.38349 0.31955 protocols.relax.FastRelax: CMD: min -65.6304 7.02831 3.35593 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.6304 7.02831 3.35593 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9353 7.02831 3.35593 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 629 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.9464 7.02831 3.35593 0.55 protocols.relax.FastRelax: CMD: min -55.9417 6.98231 3.36213 0.55 protocols.relax.FastRelax: MRP: 2 -55.9417 -55.9417 6.98231 3.36213 protocols.relax.FastRelax: CMD: accept_to_best -55.9417 6.98231 3.36213 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.9417 6.98231 3.36213 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9417 6.98231 3.36213 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.1102 6.98231 3.36213 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.9533 6.98231 3.36213 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0524 6.98231 3.36213 0.02805 protocols.relax.FastRelax: CMD: min -104.453 7.09051 3.47571 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -104.453 7.09051 3.47571 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.6021 7.09051 3.47571 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 656 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.8956 7.09051 3.47571 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6832 7.09051 3.47571 0.154 protocols.relax.FastRelax: CMD: min -80.3181 7.0186 3.39496 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.3181 7.0186 3.39496 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7242 7.0186 3.39496 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 639 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.1803 7.0186 3.39496 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7972 7.0186 3.39496 0.31955 protocols.relax.FastRelax: CMD: min -66.0832 7.01359 3.36428 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.0832 7.01359 3.36428 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.8493 7.01359 3.36428 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 624 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.8581 7.01359 3.36428 0.55 protocols.relax.FastRelax: CMD: min -55.9309 6.98073 3.36079 0.55 protocols.relax.FastRelax: MRP: 3 -55.9309 -55.9417 6.98231 3.36213 protocols.relax.FastRelax: CMD: accept_to_best -55.9309 6.98073 3.36079 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.9309 6.98073 3.36079 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9309 6.98073 3.36079 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.105 6.98073 3.36079 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 712 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.9545 6.98073 3.36079 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9444 6.98073 3.36079 0.02805 protocols.relax.FastRelax: CMD: min -108.094 7.21329 3.58959 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.094 7.21329 3.58959 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.4041 7.21329 3.58959 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 633 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.1128 7.21329 3.58959 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.0938 7.21329 3.58959 0.154 protocols.relax.FastRelax: CMD: min -79.5737 7.08004 3.4394 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.5737 7.08004 3.4394 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6892 7.08004 3.4394 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 627 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.1823 7.08004 3.4394 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7145 7.08004 3.4394 0.31955 protocols.relax.FastRelax: CMD: min -64.8052 7.03708 3.40844 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8052 7.03708 3.40844 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.4978 7.03708 3.40844 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.8187 7.03708 3.40844 0.55 protocols.relax.FastRelax: CMD: min -55.9997 6.98849 3.37146 0.55 protocols.relax.FastRelax: MRP: 4 -55.9997 -55.9997 6.98849 3.37146 protocols.relax.FastRelax: CMD: accept_to_best -55.9997 6.98849 3.37146 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.9997 6.98849 3.37146 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_14.pdb protocols.relax.FastRelax: CMD: repeat 15062.4 7.97418 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15062.4 7.97418 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1736.04 7.97418 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 449 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.1144 7.97418 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -18.7548 7.97418 0 0.02805 protocols.relax.FastRelax: CMD: min -76.6638 7.8322 0.934298 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.6638 7.8322 0.934298 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6483 7.8322 0.934298 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.3619 7.8322 0.934298 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3037 7.8322 0.934298 0.154 protocols.relax.FastRelax: CMD: min -63.4796 7.98914 0.994315 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.4796 7.98914 0.994315 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.7086 7.98914 0.994315 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 427 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.8829 7.98914 0.994315 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.034 7.98914 0.994315 0.31955 protocols.relax.FastRelax: CMD: min -52.574 7.97907 0.978745 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.574 7.97907 0.978745 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.1991 7.97907 0.978745 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 423 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.2134 7.97907 0.978745 0.55 protocols.relax.FastRelax: CMD: min -55.8643 8.35319 1.46053 0.55 protocols.relax.FastRelax: MRP: 0 -55.8643 -55.8643 8.35319 1.46053 protocols.relax.FastRelax: CMD: accept_to_best -55.8643 8.35319 1.46053 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.8643 8.35319 1.46053 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.8643 8.35319 1.46053 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2563 8.35319 1.46053 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6561 8.35319 1.46053 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.365 8.35319 1.46053 0.02805 protocols.relax.FastRelax: CMD: min -85.3276 8.26373 1.45569 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.3276 8.26373 1.45569 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6631 8.26373 1.45569 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.6508 8.26373 1.45569 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.581 8.26373 1.45569 0.154 protocols.relax.FastRelax: CMD: min -72.159 8.29379 1.50681 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.159 8.29379 1.50681 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8882 8.29379 1.50681 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 417 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8913 8.29379 1.50681 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1606 8.29379 1.50681 0.31955 protocols.relax.FastRelax: CMD: min -62.7643 8.29697 1.5111 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.7643 8.29697 1.5111 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6376 8.29697 1.5111 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 413 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.6376 8.29697 1.5111 0.55 protocols.relax.FastRelax: CMD: min -62.0952 8.27609 1.58218 0.55 protocols.relax.FastRelax: MRP: 1 -62.0952 -62.0952 8.27609 1.58218 protocols.relax.FastRelax: CMD: accept_to_best -62.0952 8.27609 1.58218 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.0952 8.27609 1.58218 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.0952 8.27609 1.58218 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.4807 8.27609 1.58218 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 441 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.7605 8.27609 1.58218 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.179 8.27609 1.58218 0.02805 protocols.relax.FastRelax: CMD: min -91.6405 8.23919 1.53316 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.6405 8.23919 1.53316 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0515 8.23919 1.53316 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.6063 8.23919 1.53316 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2948 8.23919 1.53316 0.154 protocols.relax.FastRelax: CMD: min -78.5359 8.29711 1.65695 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.5359 8.29711 1.65695 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.064 8.29711 1.65695 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 433 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.1048 8.29711 1.65695 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.2811 8.29711 1.65695 0.31955 protocols.relax.FastRelax: CMD: min -68.2578 8.2746 1.65352 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.2578 8.2746 1.65352 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.0059 8.2746 1.65352 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 429 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0201 8.2746 1.65352 0.55 protocols.relax.FastRelax: CMD: min -62.7944 8.13105 1.70489 0.55 protocols.relax.FastRelax: MRP: 2 -62.7944 -62.7944 8.13105 1.70489 protocols.relax.FastRelax: CMD: accept_to_best -62.7944 8.13105 1.70489 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.7944 8.13105 1.70489 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.7944 8.13105 1.70489 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.3528 8.13105 1.70489 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.809 8.13105 1.70489 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.7293 8.13105 1.70489 0.02805 protocols.relax.FastRelax: CMD: min -84.8237 8.13477 1.70849 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.8237 8.13477 1.70849 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -62.6276 8.13477 1.70849 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.142 8.13477 1.70849 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6823 8.13477 1.70849 0.154 protocols.relax.FastRelax: CMD: min -77.4824 8.13248 1.72754 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.4824 8.13248 1.72754 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.4247 8.13248 1.72754 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.4248 8.13248 1.72754 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7106 8.13248 1.72754 0.31955 protocols.relax.FastRelax: CMD: min -70.4698 8.09517 1.73979 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4698 8.09517 1.73979 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3772 8.09517 1.73979 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.4509 8.09517 1.73979 0.55 protocols.relax.FastRelax: CMD: min -64.6027 8.07291 1.82701 0.55 protocols.relax.FastRelax: MRP: 3 -64.6027 -64.6027 8.07291 1.82701 protocols.relax.FastRelax: CMD: accept_to_best -64.6027 8.07291 1.82701 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.6027 8.07291 1.82701 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.6027 8.07291 1.82701 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.8408 8.07291 1.82701 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.8025 8.07291 1.82701 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.5111 8.07291 1.82701 0.02805 protocols.relax.FastRelax: CMD: min -85.3874 8.07647 1.8327 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.3874 8.07647 1.8327 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7725 8.07647 1.8327 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.9352 8.07647 1.8327 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.4844 8.07647 1.8327 0.154 protocols.relax.FastRelax: CMD: min -79.0546 8.08461 1.85613 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.0546 8.08461 1.85613 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9637 8.08461 1.85613 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.9637 8.08461 1.85613 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2469 8.08461 1.85613 0.31955 protocols.relax.FastRelax: CMD: min -71.2085 8.08391 1.8265 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.2085 8.08391 1.8265 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6734 8.08391 1.8265 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.6734 8.08391 1.8265 0.55 protocols.relax.FastRelax: CMD: min -64.6125 8.07332 1.82345 0.55 protocols.relax.FastRelax: MRP: 4 -64.6125 -64.6125 8.07332 1.82345 protocols.relax.FastRelax: CMD: accept_to_best -64.6125 8.07332 1.82345 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.6125 8.07332 1.82345 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_45.pdb protocols.relax.FastRelax: CMD: repeat 14442.5 9.19721 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14442.5 9.19721 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1735.26 9.19721 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.1828 9.19721 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -27.7683 9.19721 0 0.02805 protocols.relax.FastRelax: CMD: min -49.7172 9.57651 1.47547 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -49.7172 9.57651 1.47547 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -11.4655 9.57651 1.47547 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 428 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.0007 9.57651 1.47547 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -19.2216 9.57651 1.47547 0.154 protocols.relax.FastRelax: CMD: min -73.4749 9.80517 1.59543 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4749 9.80517 1.59543 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6309 9.80517 1.59543 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.0155 9.80517 1.59543 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0259 9.80517 1.59543 0.31955 protocols.relax.FastRelax: CMD: min -62.2502 9.78725 1.51404 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.2502 9.78725 1.51404 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.9106 9.78725 1.51404 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.9532 9.78725 1.51404 0.55 protocols.relax.FastRelax: CMD: min -70.4459 9.76858 1.81793 0.55 protocols.relax.FastRelax: MRP: 0 -70.4459 -70.4459 9.76858 1.81793 protocols.relax.FastRelax: CMD: accept_to_best -70.4459 9.76858 1.81793 0.55 protocols.relax.FastRelax: CMD: endrepeat -70.4459 9.76858 1.81793 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4459 9.76858 1.81793 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1477 9.76858 1.81793 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.1946 9.76858 1.81793 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -96.0262 9.76858 1.81793 0.02805 protocols.relax.FastRelax: CMD: min -115.065 9.74171 2.03053 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.065 9.74171 2.03053 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0374 9.74171 2.03053 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.531 9.74171 2.03053 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4291 9.74171 2.03053 0.154 protocols.relax.FastRelax: CMD: min -96.5197 9.79525 2.00783 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.5197 9.79525 2.00783 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.9729 9.79525 2.00783 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.1238 9.79525 2.00783 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.1289 9.79525 2.00783 0.31955 protocols.relax.FastRelax: CMD: min -86.4864 9.78548 1.94888 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.4864 9.78548 1.94888 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.9153 9.78548 1.94888 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.9153 9.78548 1.94888 0.55 protocols.relax.FastRelax: CMD: min -79.2915 9.77811 1.94192 0.55 protocols.relax.FastRelax: MRP: 1 -79.2915 -79.2915 9.77811 1.94192 protocols.relax.FastRelax: CMD: accept_to_best -79.2915 9.77811 1.94192 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.2915 9.77811 1.94192 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2915 9.77811 1.94192 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.266 9.77811 1.94192 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.631 9.77811 1.94192 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.87 9.77811 1.94192 0.02805 protocols.relax.FastRelax: CMD: min -116.505 9.76367 2.23837 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.505 9.76367 2.23837 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4683 9.76367 2.23837 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1561 9.76367 2.23837 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -83.7658 9.76367 2.23837 0.154 protocols.relax.FastRelax: CMD: min -92.1275 9.77446 2.17793 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.1275 9.77446 2.17793 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2633 9.77446 2.17793 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.5765 9.77446 2.17793 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5086 9.77446 2.17793 0.31955 protocols.relax.FastRelax: CMD: min -84.4469 9.74564 2.06811 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.4469 9.74564 2.06811 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -72.8451 9.74564 2.06811 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.6363 9.74564 2.06811 0.55 protocols.relax.FastRelax: CMD: min -86.0844 9.6339 2.15236 0.55 protocols.relax.FastRelax: MRP: 2 -86.0844 -86.0844 9.6339 2.15236 protocols.relax.FastRelax: CMD: accept_to_best -86.0844 9.6339 2.15236 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.0844 9.6339 2.15236 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0844 9.6339 2.15236 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -106.306 9.6339 2.15236 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -111.461 9.6339 2.15236 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -109.816 9.6339 2.15236 0.02805 protocols.relax.FastRelax: CMD: min -126.31 9.59147 2.47484 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.31 9.59147 2.47484 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4798 9.59147 2.47484 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.5616 9.59147 2.47484 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4738 9.59147 2.47484 0.154 protocols.relax.FastRelax: CMD: min -107.245 9.56899 2.35062 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -107.245 9.56899 2.35062 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -93.8837 9.56899 2.35062 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.6338 9.56899 2.35062 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -93.5873 9.56899 2.35062 0.31955 protocols.relax.FastRelax: CMD: min -96.792 9.57506 2.28582 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -96.792 9.57506 2.28582 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -83.4172 9.57506 2.28582 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.4614 9.57506 2.28582 0.55 protocols.relax.FastRelax: CMD: min -90.0663 9.56992 2.13639 0.55 protocols.relax.FastRelax: MRP: 3 -90.0663 -90.0663 9.56992 2.13639 protocols.relax.FastRelax: CMD: accept_to_best -90.0663 9.56992 2.13639 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.0663 9.56992 2.13639 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -90.0663 9.56992 2.13639 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -109.819 9.56992 2.13639 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.149 9.56992 2.13639 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -112.699 9.56992 2.13639 0.02805 protocols.relax.FastRelax: CMD: min -126.946 9.53647 2.4404 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -126.946 9.53647 2.4404 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8776 9.53647 2.4404 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.891 9.53647 2.4404 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -90.9366 9.53647 2.4404 0.154 protocols.relax.FastRelax: CMD: min -109.043 9.53897 2.33112 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -109.043 9.53897 2.33112 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -95.8166 9.53897 2.33112 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.4025 9.53897 2.33112 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -95.365 9.53897 2.33112 0.31955 protocols.relax.FastRelax: CMD: min -98.4127 9.5598 2.27382 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -98.4127 9.5598 2.27382 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -85.1095 9.5598 2.27382 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.16 9.5598 2.27382 0.55 protocols.relax.FastRelax: CMD: min -90.0627 9.56797 2.13883 0.55 protocols.relax.FastRelax: MRP: 4 -90.0627 -90.0663 9.56992 2.13639 protocols.relax.FastRelax: CMD: accept_to_best -90.0627 9.56797 2.13883 0.55 protocols.relax.FastRelax: CMD: endrepeat -90.0627 9.56797 2.13883 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_25.pdb protocols.relax.FastRelax: CMD: repeat 14543.1 5.58842 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14543.1 5.58842 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1679.55 5.58842 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -6.33573 5.58842 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -0.77319 5.58842 0 0.02805 protocols.relax.FastRelax: CMD: min -60.1117 7.65691 3.62564 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -60.1117 7.65691 3.62564 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -26.7113 7.65691 3.62564 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.1713 7.65691 3.62564 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.2214 7.65691 3.62564 0.154 protocols.relax.FastRelax: CMD: min -50.8873 8.21691 4.46835 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8873 8.21691 4.46835 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -39.9371 8.21691 4.46835 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 552 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.3793 8.21691 4.46835 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -39.5429 8.21691 4.46835 0.31955 protocols.relax.FastRelax: CMD: min -41.9647 8.29232 4.53421 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.9647 8.29232 4.53421 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.1935 8.29232 4.53421 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.1938 8.29232 4.53421 0.55 protocols.relax.FastRelax: CMD: min -43.1122 9.04909 6.03437 0.55 protocols.relax.FastRelax: MRP: 0 -43.1122 -43.1122 9.04909 6.03437 protocols.relax.FastRelax: CMD: accept_to_best -43.1122 9.04909 6.03437 0.55 protocols.relax.FastRelax: CMD: endrepeat -43.1122 9.04909 6.03437 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -43.1122 9.04909 6.03437 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7549 9.04909 6.03437 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.4352 9.04909 6.03437 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9879 9.04909 6.03437 0.02805 protocols.relax.FastRelax: CMD: min -74.0048 8.8549 5.83916 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -74.0048 8.8549 5.83916 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7032 8.8549 5.83916 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.2317 8.8549 5.83916 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.2636 8.8549 5.83916 0.154 protocols.relax.FastRelax: CMD: min -62.6264 8.89075 5.93806 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -62.6264 8.89075 5.93806 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.8341 8.89075 5.93806 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.9843 8.89075 5.93806 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.1927 8.89075 5.93806 0.31955 protocols.relax.FastRelax: CMD: min -53.1473 8.90273 5.94914 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.1473 8.90273 5.94914 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.9743 8.90273 5.94914 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 485 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.196 8.90273 5.94914 0.55 protocols.relax.FastRelax: CMD: min -48.8895 8.47035 5.68529 0.55 protocols.relax.FastRelax: MRP: 1 -48.8895 -48.8895 8.47035 5.68529 protocols.relax.FastRelax: CMD: accept_to_best -48.8895 8.47035 5.68529 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.8895 8.47035 5.68529 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.8895 8.47035 5.68529 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3795 8.47035 5.68529 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.1249 8.47035 5.68529 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1335 8.47035 5.68529 0.02805 protocols.relax.FastRelax: CMD: min -79.0689 8.24201 5.58591 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.0689 8.24201 5.58591 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.1325 8.24201 5.58591 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.0077 8.24201 5.58591 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.6463 8.24201 5.58591 0.154 protocols.relax.FastRelax: CMD: min -65.3501 8.37269 5.69017 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.3501 8.37269 5.69017 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -53.8319 8.37269 5.69017 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.337 8.37269 5.69017 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.4788 8.37269 5.69017 0.31955 protocols.relax.FastRelax: CMD: min -56.5319 8.43876 5.81066 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.5319 8.43876 5.81066 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1422 8.43876 5.81066 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.1747 8.43876 5.81066 0.55 protocols.relax.FastRelax: CMD: min -48.8956 8.49167 5.72742 0.55 protocols.relax.FastRelax: MRP: 2 -48.8956 -48.8956 8.49167 5.72742 protocols.relax.FastRelax: CMD: accept_to_best -48.8956 8.49167 5.72742 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.8956 8.49167 5.72742 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.8956 8.49167 5.72742 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3836 8.49167 5.72742 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 597 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.1493 8.49167 5.72742 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1698 8.49167 5.72742 0.02805 protocols.relax.FastRelax: CMD: min -78.9008 8.29075 5.61931 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -78.9008 8.29075 5.61931 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.6737 8.29075 5.61931 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.3666 8.29075 5.61931 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.0906 8.29075 5.61931 0.154 protocols.relax.FastRelax: CMD: min -65.7463 8.36107 5.68988 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.7463 8.36107 5.68988 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.1869 8.36107 5.68988 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.3304 8.36107 5.68988 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.4711 8.36107 5.68988 0.31955 protocols.relax.FastRelax: CMD: min -56.8021 8.46672 5.84746 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.8021 8.46672 5.84746 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5509 8.46672 5.84746 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.6035 8.46672 5.84746 0.55 protocols.relax.FastRelax: CMD: min -48.896 8.49174 5.71678 0.55 protocols.relax.FastRelax: MRP: 3 -48.896 -48.896 8.49174 5.71678 protocols.relax.FastRelax: CMD: accept_to_best -48.896 8.49174 5.71678 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.896 8.49174 5.71678 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -48.896 8.49174 5.71678 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3761 8.49174 5.71678 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 595 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.1405 8.49174 5.71678 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.1607 8.49174 5.71678 0.02805 protocols.relax.FastRelax: CMD: min -79.0728 8.26596 5.6231 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.0728 8.26596 5.6231 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.8842 8.26596 5.6231 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.3282 8.26596 5.6231 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.0161 8.26596 5.6231 0.154 protocols.relax.FastRelax: CMD: min -66.0091 8.44077 5.84469 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -66.0091 8.44077 5.84469 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.694 8.44077 5.84469 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.8975 8.44077 5.84469 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.0686 8.44077 5.84469 0.31955 protocols.relax.FastRelax: CMD: min -56.0385 8.44789 5.8476 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.0385 8.44789 5.8476 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.2335 8.44789 5.8476 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.4627 8.44789 5.8476 0.55 protocols.relax.FastRelax: CMD: min -48.8978 8.49341 5.72042 0.55 protocols.relax.FastRelax: MRP: 4 -48.8978 -48.8978 8.49341 5.72042 protocols.relax.FastRelax: CMD: accept_to_best -48.8978 8.49341 5.72042 0.55 protocols.relax.FastRelax: CMD: endrepeat -48.8978 8.49341 5.72042 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_26.pdb protocols.relax.FastRelax: CMD: repeat 15046.1 6.67017 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15046.1 6.67017 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1797.42 6.67017 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -3.56127 6.67017 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -1.08363 6.67017 0 0.02805 protocols.relax.FastRelax: CMD: min -68.566 7.23366 1.67019 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -68.566 7.23366 1.67019 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.9142 7.23366 1.67019 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.772 7.23366 1.67019 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.2774 7.23366 1.67019 0.154 protocols.relax.FastRelax: CMD: min -59.1193 7.1962 1.57175 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.1193 7.1962 1.57175 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.753 7.1962 1.57175 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.7563 7.1962 1.57175 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.6999 7.1962 1.57175 0.31955 protocols.relax.FastRelax: CMD: min -47.0114 7.19005 1.49535 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.0114 7.19005 1.49535 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -31.0984 7.19005 1.49535 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.1295 7.19005 1.49535 0.55 protocols.relax.FastRelax: CMD: min -60.1521 6.97619 1.89882 0.55 protocols.relax.FastRelax: MRP: 0 -60.1521 -60.1521 6.97619 1.89882 protocols.relax.FastRelax: CMD: accept_to_best -60.1521 6.97619 1.89882 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.1521 6.97619 1.89882 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.1521 6.97619 1.89882 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0997 6.97619 1.89882 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 574 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0616 6.97619 1.89882 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7499 6.97619 1.89882 0.02805 protocols.relax.FastRelax: CMD: min -92.2746 7.07494 2.33382 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.2746 7.07494 2.33382 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.3147 7.07494 2.33382 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.267 7.07494 2.33382 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.1059 7.07494 2.33382 0.154 protocols.relax.FastRelax: CMD: min -79.3071 7.03727 2.17303 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.3071 7.03727 2.17303 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.6108 7.03727 2.17303 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.8174 7.03727 2.17303 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8797 7.03727 2.17303 0.31955 protocols.relax.FastRelax: CMD: min -68.6155 7.01206 2.10762 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.6155 7.01206 2.10762 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.2436 7.01206 2.10762 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.3435 7.01206 2.10762 0.55 protocols.relax.FastRelax: CMD: min -63.2692 7.0357 2.14254 0.55 protocols.relax.FastRelax: MRP: 1 -63.2692 -63.2692 7.0357 2.14254 protocols.relax.FastRelax: CMD: accept_to_best -63.2692 7.0357 2.14254 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.2692 7.0357 2.14254 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.2692 7.0357 2.14254 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9296 7.0357 2.14254 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.8937 7.0357 2.14254 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.5473 7.0357 2.14254 0.02805 protocols.relax.FastRelax: CMD: min -102.43 7.1715 2.4299 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.43 7.1715 2.4299 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6754 7.1715 2.4299 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.0299 7.1715 2.4299 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3055 7.1715 2.4299 0.154 protocols.relax.FastRelax: CMD: min -84.2976 7.08956 2.25352 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.2976 7.08956 2.25352 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.1783 7.08956 2.25352 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.508 7.08956 2.25352 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.4666 7.08956 2.25352 0.31955 protocols.relax.FastRelax: CMD: min -71.0825 7.06699 2.19068 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.0825 7.06699 2.19068 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4133 7.06699 2.19068 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5011 7.06699 2.19068 0.55 protocols.relax.FastRelax: CMD: min -65.9826 7.03462 2.1162 0.55 protocols.relax.FastRelax: MRP: 2 -65.9826 -65.9826 7.03462 2.1162 protocols.relax.FastRelax: CMD: accept_to_best -65.9826 7.03462 2.1162 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.9826 7.03462 2.1162 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9826 7.03462 2.1162 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.5974 7.03462 2.1162 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.7859 7.03462 2.1162 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4395 7.03462 2.1162 0.02805 protocols.relax.FastRelax: CMD: min -97.5707 7.11277 2.36248 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.5707 7.11277 2.36248 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3275 7.11277 2.36248 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.1413 7.11277 2.36248 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.5348 7.11277 2.36248 0.154 protocols.relax.FastRelax: CMD: min -84.4503 7.04851 2.21659 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.4503 7.04851 2.21659 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.3362 7.04851 2.21659 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.3479 7.04851 2.21659 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5515 7.04851 2.21659 0.31955 protocols.relax.FastRelax: CMD: min -74.8854 7.0363 2.15426 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.8854 7.0363 2.15426 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.691 7.0363 2.15426 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6982 7.0363 2.15426 0.55 protocols.relax.FastRelax: CMD: min -65.9808 7.03315 2.11495 0.55 protocols.relax.FastRelax: MRP: 3 -65.9808 -65.9826 7.03462 2.1162 protocols.relax.FastRelax: CMD: accept_to_best -65.9808 7.03315 2.11495 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.9808 7.03315 2.11495 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9808 7.03315 2.11495 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.5682 7.03315 2.11495 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.762 7.03315 2.11495 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4179 7.03315 2.11495 0.02805 protocols.relax.FastRelax: CMD: min -96.9231 7.12549 2.38749 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.9231 7.12549 2.38749 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.8742 7.12549 2.38749 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.0515 7.12549 2.38749 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7232 7.12549 2.38749 0.154 protocols.relax.FastRelax: CMD: min -83.0094 7.05548 2.22838 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.0094 7.05548 2.22838 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0348 7.05548 2.22838 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.1489 7.05548 2.22838 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.2545 7.05548 2.22838 0.31955 protocols.relax.FastRelax: CMD: min -73.2716 7.04707 2.1468 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.2716 7.04707 2.1468 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0605 7.04707 2.1468 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.1104 7.04707 2.1468 0.55 protocols.relax.FastRelax: CMD: min -66.0491 7.05684 2.1705 0.55 protocols.relax.FastRelax: MRP: 4 -66.0491 -66.0491 7.05684 2.1705 protocols.relax.FastRelax: CMD: accept_to_best -66.0491 7.05684 2.1705 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.0491 7.05684 2.1705 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_22.pdb protocols.relax.FastRelax: CMD: repeat 18175.1 7.4472 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 18175.1 7.4472 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1916.85 7.4472 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 13.63 7.4472 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 26.3124 7.4472 0 0.02805 protocols.relax.FastRelax: CMD: min -72.3037 7.81129 2.35086 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.3037 7.81129 2.35086 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7391 7.81129 2.35086 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4001 7.81129 2.35086 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.4894 7.81129 2.35086 0.154 protocols.relax.FastRelax: CMD: min -59.5941 7.81409 1.94994 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.5941 7.81409 1.94994 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -47.2921 7.81409 1.94994 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.6127 7.81409 1.94994 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.6455 7.81409 1.94994 0.31955 protocols.relax.FastRelax: CMD: min -47.4941 7.83066 1.9232 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.4941 7.83066 1.9232 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1049 7.83066 1.9232 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.1574 7.83066 1.9232 0.55 protocols.relax.FastRelax: CMD: min -61.6531 7.91483 2.56125 0.55 protocols.relax.FastRelax: MRP: 0 -61.6531 -61.6531 7.91483 2.56125 protocols.relax.FastRelax: CMD: accept_to_best -61.6531 7.91483 2.56125 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.6531 7.91483 2.56125 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.6531 7.91483 2.56125 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9841 7.91483 2.56125 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.3184 7.91483 2.56125 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.4168 7.91483 2.56125 0.02805 protocols.relax.FastRelax: CMD: min -99.6985 8.22567 3.28997 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.6985 8.22567 3.28997 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6276 8.22567 3.28997 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 549 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.1746 8.22567 3.28997 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4699 8.22567 3.28997 0.154 protocols.relax.FastRelax: CMD: min -80.8956 8.2543 3.17393 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.8956 8.2543 3.17393 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.0254 8.2543 3.17393 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 533 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.6189 8.2543 3.17393 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.523 8.2543 3.17393 0.31955 protocols.relax.FastRelax: CMD: min -73.3116 8.31733 3.07169 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.3116 8.31733 3.07169 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.8286 8.31733 3.07169 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.8343 8.31733 3.07169 0.55 protocols.relax.FastRelax: CMD: min -65.9726 8.32586 2.98144 0.55 protocols.relax.FastRelax: MRP: 1 -65.9726 -65.9726 8.32586 2.98144 protocols.relax.FastRelax: CMD: accept_to_best -65.9726 8.32586 2.98144 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.9726 8.32586 2.98144 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9726 8.32586 2.98144 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.7073 8.32586 2.98144 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.2891 8.32586 2.98144 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.7099 8.32586 2.98144 0.02805 protocols.relax.FastRelax: CMD: min -99.0727 8.19437 3.14109 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.0727 8.19437 3.14109 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9964 8.19437 3.14109 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.8282 8.19437 3.14109 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5988 8.19437 3.14109 0.154 protocols.relax.FastRelax: CMD: min -86.4916 8.27738 3.12825 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.4916 8.27738 3.12825 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.4783 8.27738 3.12825 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.6664 8.27738 3.12825 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6823 8.27738 3.12825 0.31955 protocols.relax.FastRelax: CMD: min -74.9832 8.27534 3.07682 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9832 8.27534 3.07682 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.0504 8.27534 3.07682 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.1055 8.27534 3.07682 0.55 protocols.relax.FastRelax: CMD: min -67.3729 8.32288 2.97556 0.55 protocols.relax.FastRelax: MRP: 2 -67.3729 -67.3729 8.32288 2.97556 protocols.relax.FastRelax: CMD: accept_to_best -67.3729 8.32288 2.97556 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.3729 8.32288 2.97556 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.3729 8.32288 2.97556 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.1608 8.32288 2.97556 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.4588 8.32288 2.97556 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.8751 8.32288 2.97556 0.02805 protocols.relax.FastRelax: CMD: min -103.713 8.1883 3.28241 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.713 8.1883 3.28241 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.6319 8.1883 3.28241 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.3615 8.1883 3.28241 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.478 8.1883 3.28241 0.154 protocols.relax.FastRelax: CMD: min -86.1264 8.26706 3.14186 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.1264 8.26706 3.14186 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.8106 8.26706 3.14186 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.8296 8.26706 3.14186 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7798 8.26706 3.14186 0.31955 protocols.relax.FastRelax: CMD: min -72.7424 8.26988 3.11367 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7424 8.26988 3.11367 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5318 8.26988 3.11367 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5386 8.26988 3.11367 0.55 protocols.relax.FastRelax: CMD: min -67.3767 8.32139 2.96887 0.55 protocols.relax.FastRelax: MRP: 3 -67.3767 -67.3767 8.32139 2.96887 protocols.relax.FastRelax: CMD: accept_to_best -67.3767 8.32139 2.96887 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.3767 8.32139 2.96887 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.3767 8.32139 2.96887 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.1957 8.32139 2.96887 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.5086 8.32139 2.96887 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -89.9252 8.32139 2.96887 0.02805 protocols.relax.FastRelax: CMD: min -103.856 8.17282 3.26885 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.856 8.17282 3.26885 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.7752 8.17282 3.26885 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.2417 8.17282 3.26885 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3472 8.17282 3.26885 0.154 protocols.relax.FastRelax: CMD: min -85.9818 8.32434 3.16778 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.9818 8.32434 3.16778 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.759 8.32434 3.16778 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.809 8.32434 3.16778 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6907 8.32434 3.16778 0.31955 protocols.relax.FastRelax: CMD: min -75.9114 8.32837 3.08806 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.9114 8.32837 3.08806 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7967 8.32837 3.08806 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8323 8.32837 3.08806 0.55 protocols.relax.FastRelax: CMD: min -67.3605 8.32211 2.97421 0.55 protocols.relax.FastRelax: MRP: 4 -67.3605 -67.3767 8.32139 2.96887 protocols.relax.FastRelax: CMD: accept_to_best -67.3605 8.32211 2.97421 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.3605 8.32211 2.97421 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_3.pdb protocols.relax.FastRelax: CMD: repeat 15914.9 7.86569 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15914.9 7.86569 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1834.92 7.86569 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 594 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.6508 7.86569 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -28.8471 7.86569 0 0.02805 protocols.relax.FastRelax: CMD: min -71.3601 7.50717 2.14765 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -71.3601 7.50717 2.14765 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.5198 7.50717 2.14765 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 603 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.5271 7.50717 2.14765 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.9632 7.50717 2.14765 0.154 protocols.relax.FastRelax: CMD: min -56.3154 7.62136 2.79921 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.3154 7.62136 2.79921 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.5505 7.62136 2.79921 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.899 7.62136 2.79921 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9351 7.62136 2.79921 0.31955 protocols.relax.FastRelax: CMD: min -49.8789 7.69733 3.00153 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -49.8789 7.69733 3.00153 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0883 7.69733 3.00153 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.2809 7.69733 3.00153 0.55 protocols.relax.FastRelax: CMD: min -55.0521 7.54552 2.85852 0.55 protocols.relax.FastRelax: MRP: 0 -55.0521 -55.0521 7.54552 2.85852 protocols.relax.FastRelax: CMD: accept_to_best -55.0521 7.54552 2.85852 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.0521 7.54552 2.85852 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.0521 7.54552 2.85852 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1873 7.54552 2.85852 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.471 7.54552 2.85852 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.331 7.54552 2.85852 0.02805 protocols.relax.FastRelax: CMD: min -85.4288 7.5882 2.32776 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.4288 7.5882 2.32776 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5474 7.5882 2.32776 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.0593 7.5882 2.32776 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8987 7.5882 2.32776 0.154 protocols.relax.FastRelax: CMD: min -71.0718 7.60273 2.58393 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.0718 7.60273 2.58393 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.889 7.60273 2.58393 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.35 7.60273 2.58393 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5821 7.60273 2.58393 0.31955 protocols.relax.FastRelax: CMD: min -61.492 7.60427 2.63396 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.492 7.60427 2.63396 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.835 7.60427 2.63396 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.244 7.60427 2.63396 0.55 protocols.relax.FastRelax: CMD: min -58.0674 7.62525 2.85982 0.55 protocols.relax.FastRelax: MRP: 1 -58.0674 -58.0674 7.62525 2.85982 protocols.relax.FastRelax: CMD: accept_to_best -58.0674 7.62525 2.85982 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.0674 7.62525 2.85982 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.0674 7.62525 2.85982 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8634 7.62525 2.85982 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.2694 7.62525 2.85982 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4174 7.62525 2.85982 0.02805 protocols.relax.FastRelax: CMD: min -84.3765 7.59102 2.42564 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.3765 7.59102 2.42564 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7308 7.59102 2.42564 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.3763 7.59102 2.42564 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3447 7.59102 2.42564 0.154 protocols.relax.FastRelax: CMD: min -73.3221 7.59205 2.68087 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.3221 7.59205 2.68087 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6429 7.59205 2.68087 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.6429 7.59205 2.68087 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8797 7.59205 2.68087 0.31955 protocols.relax.FastRelax: CMD: min -64.0257 7.59021 2.71614 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.0257 7.59021 2.71614 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2355 7.59021 2.71614 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.2163 7.59021 2.71614 0.55 protocols.relax.FastRelax: CMD: min -58.0475 7.62666 2.85894 0.55 protocols.relax.FastRelax: MRP: 2 -58.0475 -58.0674 7.62525 2.85982 protocols.relax.FastRelax: CMD: accept_to_best -58.0475 7.62666 2.85894 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.0475 7.62666 2.85894 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.0475 7.62666 2.85894 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8339 7.62666 2.85894 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 545 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.242 7.62666 2.85894 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.3835 7.62666 2.85894 0.02805 protocols.relax.FastRelax: CMD: min -84.4 7.59274 2.42285 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.4 7.59274 2.42285 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7837 7.59274 2.42285 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.4086 7.59274 2.42285 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3781 7.59274 2.42285 0.154 protocols.relax.FastRelax: CMD: min -73.0724 7.59675 2.7029 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.0724 7.59675 2.7029 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.4376 7.59675 2.7029 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.3532 7.59675 2.7029 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.6631 7.59675 2.7029 0.31955 protocols.relax.FastRelax: CMD: min -64.9193 7.60707 2.77266 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9193 7.60707 2.77266 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.6434 7.60707 2.77266 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.6566 7.60707 2.77266 0.55 protocols.relax.FastRelax: CMD: min -58.0759 7.63109 2.85452 0.55 protocols.relax.FastRelax: MRP: 3 -58.0759 -58.0759 7.63109 2.85452 protocols.relax.FastRelax: CMD: accept_to_best -58.0759 7.63109 2.85452 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.0759 7.63109 2.85452 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.0759 7.63109 2.85452 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8641 7.63109 2.85452 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.2724 7.63109 2.85452 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4193 7.63109 2.85452 0.02805 protocols.relax.FastRelax: CMD: min -84.4213 7.5957 2.41738 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.4213 7.5957 2.41738 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9755 7.5957 2.41738 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.555 7.5957 2.41738 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -67.5342 7.5957 2.41738 0.154 protocols.relax.FastRelax: CMD: min -73.09 7.60072 2.69796 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.09 7.60072 2.69796 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.4618 7.60072 2.69796 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.4618 7.60072 2.69796 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7026 7.60072 2.69796 0.31955 protocols.relax.FastRelax: CMD: min -64.9777 7.60815 2.77326 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9777 7.60815 2.77326 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.8677 7.60815 2.77326 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.9245 7.60815 2.77326 0.55 protocols.relax.FastRelax: CMD: min -58.0475 7.63084 2.85443 0.55 protocols.relax.FastRelax: MRP: 4 -58.0475 -58.0759 7.63109 2.85452 protocols.relax.FastRelax: CMD: accept_to_best -58.0475 7.63084 2.85443 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.0475 7.63084 2.85443 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_28.pdb protocols.relax.FastRelax: CMD: repeat 21389.1 9.04123 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 21389.1 9.04123 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1948.04 9.04123 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 528 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 36.2282 9.04123 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 57.184 9.04123 0 0.02805 protocols.relax.FastRelax: CMD: min -55.9047 9.07844 4.67197 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.9047 9.07844 4.67197 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -19.6872 9.07844 4.67197 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 493 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.7773 9.07844 4.67197 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4446 9.07844 4.67197 0.154 protocols.relax.FastRelax: CMD: min -48.3211 9.50851 5.81547 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -48.3211 9.50851 5.81547 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -35.8924 9.50851 5.81547 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 493 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.3835 9.50851 5.81547 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3235 9.50851 5.81547 0.31955 protocols.relax.FastRelax: CMD: min -35.4575 9.51031 5.82297 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.4575 9.51031 5.82297 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -15.395 9.51031 5.82297 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -16.8592 9.51031 5.82297 0.55 protocols.relax.FastRelax: CMD: min -34.7732 9.69302 5.85876 0.55 protocols.relax.FastRelax: MRP: 0 -34.7732 -34.7732 9.69302 5.85876 protocols.relax.FastRelax: CMD: accept_to_best -34.7732 9.69302 5.85876 0.55 protocols.relax.FastRelax: CMD: endrepeat -34.7732 9.69302 5.85876 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -34.7732 9.69302 5.85876 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -55.1814 9.69302 5.85876 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.3738 9.69302 5.85876 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -59.9398 9.69302 5.85876 0.02805 protocols.relax.FastRelax: CMD: min -59.9878 9.69205 5.85601 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -59.9878 9.69205 5.85601 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.515 9.69205 5.85601 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.6407 9.69205 5.85601 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -52.192 9.69205 5.85601 0.154 protocols.relax.FastRelax: CMD: min -52.2133 9.69174 5.85568 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.2133 9.69174 5.85568 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.8692 9.69174 5.85568 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.8692 9.69174 5.85568 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -43.2113 9.69174 5.85568 0.31955 protocols.relax.FastRelax: CMD: min -43.2699 9.69185 5.85777 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.2699 9.69185 5.85777 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.7899 9.69185 5.85777 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.7923 9.69185 5.85777 0.55 protocols.relax.FastRelax: CMD: min -45.0032 9.51221 6.52846 0.55 protocols.relax.FastRelax: MRP: 1 -45.0032 -45.0032 9.51221 6.52846 protocols.relax.FastRelax: CMD: accept_to_best -45.0032 9.51221 6.52846 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.0032 9.51221 6.52846 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.0032 9.51221 6.52846 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.2027 9.51221 6.52846 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.3045 9.51221 6.52846 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0318 9.51221 6.52846 0.02805 protocols.relax.FastRelax: CMD: min -65.0693 9.51104 6.52579 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.0693 9.51104 6.52579 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.7502 9.51104 6.52579 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.7502 9.51104 6.52579 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3774 9.51104 6.52579 0.154 protocols.relax.FastRelax: CMD: min -59.3989 9.51009 6.52406 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -59.3989 9.51009 6.52406 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4622 9.51009 6.52406 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.5929 9.51009 6.52406 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.061 9.51009 6.52406 0.31955 protocols.relax.FastRelax: CMD: min -52.0956 9.50974 6.52408 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.0956 9.50974 6.52408 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.9906 9.50974 6.52408 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.9906 9.50974 6.52408 0.55 protocols.relax.FastRelax: CMD: min -47.5303 9.53196 6.59187 0.55 protocols.relax.FastRelax: MRP: 2 -47.5303 -47.5303 9.53196 6.59187 protocols.relax.FastRelax: CMD: accept_to_best -47.5303 9.53196 6.59187 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.5303 9.53196 6.59187 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.5303 9.53196 6.59187 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0158 9.53196 6.59187 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.2447 9.53196 6.59187 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9858 9.53196 6.59187 0.02805 protocols.relax.FastRelax: CMD: min -66.023 9.53094 6.58936 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.023 9.53094 6.58936 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.9718 9.53094 6.58936 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.9718 9.53094 6.58936 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.6178 9.53094 6.58936 0.154 protocols.relax.FastRelax: CMD: min -60.6369 9.53017 6.58779 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6369 9.53017 6.58779 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.048 9.53017 6.58779 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0481 9.53017 6.58779 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5285 9.53017 6.58779 0.31955 protocols.relax.FastRelax: CMD: min -53.5601 9.52972 6.58747 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.5601 9.52972 6.58747 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.6883 9.52972 6.58747 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.6883 9.52972 6.58747 0.55 protocols.relax.FastRelax: CMD: min -47.5404 9.53463 6.59112 0.55 protocols.relax.FastRelax: MRP: 3 -47.5404 -47.5404 9.53463 6.59112 protocols.relax.FastRelax: CMD: accept_to_best -47.5404 9.53463 6.59112 0.55 protocols.relax.FastRelax: CMD: endrepeat -47.5404 9.53463 6.59112 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -47.5404 9.53463 6.59112 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0285 9.53463 6.59112 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.2622 9.53463 6.59112 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0022 9.53463 6.59112 0.02805 protocols.relax.FastRelax: CMD: min -66.0394 9.53362 6.5886 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.0394 9.53362 6.5886 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.9665 9.53362 6.5886 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.9665 9.53362 6.5886 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.611 9.53362 6.5886 0.154 protocols.relax.FastRelax: CMD: min -60.6302 9.53283 6.587 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6302 9.53283 6.587 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.0134 9.53283 6.587 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0136 9.53283 6.587 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.4918 9.53283 6.587 0.31955 protocols.relax.FastRelax: CMD: min -53.5249 9.53235 6.58664 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -53.5249 9.53235 6.58664 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.6128 9.53235 6.58664 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.3254 9.53235 6.58664 0.55 protocols.relax.FastRelax: CMD: min -50.5697 9.5292 6.72246 0.55 protocols.relax.FastRelax: MRP: 4 -50.5697 -50.5697 9.5292 6.72246 protocols.relax.FastRelax: CMD: accept_to_best -50.5697 9.5292 6.72246 0.55 protocols.relax.FastRelax: CMD: endrepeat -50.5697 9.5292 6.72246 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_38.pdb protocols.relax.FastRelax: CMD: repeat 16585.2 5.80853 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16585.2 5.80853 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1770.31 5.80853 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 670 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -18.2999 5.80853 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -10.0446 5.80853 0 0.02805 protocols.relax.FastRelax: CMD: min -90.0086 7.18072 2.55743 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.0086 7.18072 2.55743 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.0922 7.18072 2.55743 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 564 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.0005 7.18072 2.55743 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5481 7.18072 2.55743 0.154 protocols.relax.FastRelax: CMD: min -76.4064 7.07697 2.41253 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4064 7.07697 2.41253 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1539 7.07697 2.41253 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.2915 7.07697 2.41253 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2494 7.07697 2.41253 0.31955 protocols.relax.FastRelax: CMD: min -62.4266 7.07754 2.41119 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.4266 7.07754 2.41119 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8765 7.07754 2.41119 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.8101 7.07754 2.41119 0.55 protocols.relax.FastRelax: CMD: min -64.0114 7.17852 2.51837 0.55 protocols.relax.FastRelax: MRP: 0 -64.0114 -64.0114 7.17852 2.51837 protocols.relax.FastRelax: CMD: accept_to_best -64.0114 7.17852 2.51837 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.0114 7.17852 2.51837 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.0114 7.17852 2.51837 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.3367 7.17852 2.51837 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 584 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.6641 7.17852 2.51837 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.9981 7.17852 2.51837 0.02805 protocols.relax.FastRelax: CMD: min -90.4479 7.28072 2.55029 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.4479 7.28072 2.55029 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3586 7.28072 2.55029 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.9168 7.28072 2.55029 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.777 7.28072 2.55029 0.154 protocols.relax.FastRelax: CMD: min -81.3147 7.08003 2.1965 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3147 7.08003 2.1965 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.1514 7.08003 2.1965 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.0154 7.08003 2.1965 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.1505 7.08003 2.1965 0.31955 protocols.relax.FastRelax: CMD: min -72.0713 7.07607 2.18621 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.0713 7.07607 2.18621 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1132 7.07607 2.18621 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.1206 7.07607 2.18621 0.55 protocols.relax.FastRelax: CMD: min -66.3208 7.03952 2.08585 0.55 protocols.relax.FastRelax: MRP: 1 -66.3208 -66.3208 7.03952 2.08585 protocols.relax.FastRelax: CMD: accept_to_best -66.3208 7.03952 2.08585 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.3208 7.03952 2.08585 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.3208 7.03952 2.08585 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.5924 7.03952 2.08585 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 655 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.9599 7.03952 2.08585 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3913 7.03952 2.08585 0.02805 protocols.relax.FastRelax: CMD: min -97.5157 7.02512 2.14504 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.5157 7.02512 2.14504 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.2595 7.02512 2.14504 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 571 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.9544 7.02512 2.14504 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3977 7.02512 2.14504 0.154 protocols.relax.FastRelax: CMD: min -87.7504 6.95544 2.08856 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.7504 6.95544 2.08856 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.83 6.95544 2.08856 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.0076 6.95544 2.08856 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1084 6.95544 2.08856 0.31955 protocols.relax.FastRelax: CMD: min -77.0034 6.95592 2.06243 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.0034 6.95592 2.06243 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4687 6.95592 2.06243 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5209 6.95592 2.06243 0.55 protocols.relax.FastRelax: CMD: min -70.458 7.00957 2.09825 0.55 protocols.relax.FastRelax: MRP: 2 -70.458 -70.458 7.00957 2.09825 protocols.relax.FastRelax: CMD: accept_to_best -70.458 7.00957 2.09825 0.55 protocols.relax.FastRelax: CMD: endrepeat -70.458 7.00957 2.09825 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -70.458 7.00957 2.09825 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.962 7.00957 2.09825 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 583 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.8429 7.00957 2.09825 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.4485 7.00957 2.09825 0.02805 protocols.relax.FastRelax: CMD: min -101.356 7.08054 2.16066 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.356 7.08054 2.16066 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -79.6094 7.08054 2.16066 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.0608 7.08054 2.16066 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7114 7.08054 2.16066 0.154 protocols.relax.FastRelax: CMD: min -89.2738 6.88653 1.9319 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.2738 6.88653 1.9319 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3592 6.88653 1.9319 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.0736 6.88653 1.9319 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2511 6.88653 1.9319 0.31955 protocols.relax.FastRelax: CMD: min -79.814 6.94694 2.00883 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.814 6.94694 2.00883 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.4843 6.94694 2.00883 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.7095 6.94694 2.00883 0.55 protocols.relax.FastRelax: CMD: min -70.6244 7.01206 2.09673 0.55 protocols.relax.FastRelax: MRP: 3 -70.6244 -70.6244 7.01206 2.09673 protocols.relax.FastRelax: CMD: accept_to_best -70.6244 7.01206 2.09673 0.55 protocols.relax.FastRelax: CMD: endrepeat -70.6244 7.01206 2.09673 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -70.6244 7.01206 2.09673 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1369 7.01206 2.09673 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.9916 7.01206 2.09673 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.6445 7.01206 2.09673 0.02805 protocols.relax.FastRelax: CMD: min -101.399 7.01009 2.10191 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.399 7.01009 2.10191 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3628 7.01009 2.10191 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.4003 7.01009 2.10191 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0168 7.01009 2.10191 0.154 protocols.relax.FastRelax: CMD: min -89.1628 6.92633 1.98032 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.1628 6.92633 1.98032 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2191 6.92633 1.98032 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.1492 6.92633 1.98032 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2333 6.92633 1.98032 0.31955 protocols.relax.FastRelax: CMD: min -79.6567 6.96397 2.02607 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -79.6567 6.96397 2.02607 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.3965 6.96397 2.02607 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.6059 6.96397 2.02607 0.55 protocols.relax.FastRelax: CMD: min -70.6287 7.01183 2.09618 0.55 protocols.relax.FastRelax: MRP: 4 -70.6287 -70.6287 7.01183 2.09618 protocols.relax.FastRelax: CMD: accept_to_best -70.6287 7.01183 2.09618 0.55 protocols.relax.FastRelax: CMD: endrepeat -70.6287 7.01183 2.09618 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_12.pdb protocols.relax.FastRelax: CMD: repeat 18617 8.68099 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 18617 8.68099 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1905.21 8.68099 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.7121 8.68099 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.3333 8.68099 0 0.02805 protocols.relax.FastRelax: CMD: min -30.4239 8.68189 0.00280033 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -30.4239 8.68189 0.00280033 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 15.5795 8.68189 0.00280033 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 8.01328 8.68189 0.00280033 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 10.4544 8.68189 0.00280033 0.154 protocols.relax.FastRelax: CMD: min -52.8752 8.63425 2.08067 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -52.8752 8.63425 2.08067 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.6026 8.63425 2.08067 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.0047 8.63425 2.08067 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2954 8.63425 2.08067 0.31955 protocols.relax.FastRelax: CMD: min -57.6112 8.75622 2.36859 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.6112 8.75622 2.36859 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.4253 8.75622 2.36859 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 421 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.2372 8.75622 2.36859 0.55 protocols.relax.FastRelax: CMD: min -58.0277 8.79647 2.29714 0.55 protocols.relax.FastRelax: MRP: 0 -58.0277 -58.0277 8.79647 2.29714 protocols.relax.FastRelax: CMD: accept_to_best -58.0277 8.79647 2.29714 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.0277 8.79647 2.29714 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.0277 8.79647 2.29714 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1119 8.79647 2.29714 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.3558 8.79647 2.29714 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.4695 8.79647 2.29714 0.02805 protocols.relax.FastRelax: CMD: min -83.6422 8.77811 2.64519 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.6422 8.77811 2.64519 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.3272 8.77811 2.64519 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.8638 8.77811 2.64519 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.9191 8.77811 2.64519 0.154 protocols.relax.FastRelax: CMD: min -73.4994 8.80299 2.6502 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4994 8.80299 2.6502 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9612 8.80299 2.6502 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.0001 8.80299 2.6502 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.2516 8.80299 2.6502 0.31955 protocols.relax.FastRelax: CMD: min -64.8168 8.78437 2.58218 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8168 8.78437 2.58218 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3567 8.78437 2.58218 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.368 8.78437 2.58218 0.55 protocols.relax.FastRelax: CMD: min -60.6708 8.65663 2.75174 0.55 protocols.relax.FastRelax: MRP: 1 -60.6708 -60.6708 8.65663 2.75174 protocols.relax.FastRelax: CMD: accept_to_best -60.6708 8.65663 2.75174 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.6708 8.65663 2.75174 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.6708 8.65663 2.75174 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1376 8.65663 2.75174 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 588 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.3178 8.65663 2.75174 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8791 8.65663 2.75174 0.02805 protocols.relax.FastRelax: CMD: min -88.462 8.68249 3.03572 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.462 8.68249 3.03572 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5271 8.68249 3.03572 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 722 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.9792 8.68249 3.03572 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.569 8.68249 3.03572 0.154 protocols.relax.FastRelax: CMD: min -79.3975 8.69266 2.85988 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.3975 8.69266 2.85988 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7331 8.69266 2.85988 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.7706 8.69266 2.85988 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0115 8.69266 2.85988 0.31955 protocols.relax.FastRelax: CMD: min -69.7549 8.67827 2.80043 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.7549 8.67827 2.80043 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.9366 8.67827 2.80043 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.9371 8.67827 2.80043 0.55 protocols.relax.FastRelax: CMD: min -64.7665 8.68399 2.85901 0.55 protocols.relax.FastRelax: MRP: 2 -64.7665 -64.7665 8.68399 2.85901 protocols.relax.FastRelax: CMD: accept_to_best -64.7665 8.68399 2.85901 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.7665 8.68399 2.85901 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.7665 8.68399 2.85901 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6525 8.68399 2.85901 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.4923 8.68399 2.85901 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.9795 8.68399 2.85901 0.02805 protocols.relax.FastRelax: CMD: min -91.1611 8.75885 3.01674 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.1611 8.75885 3.01674 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.9969 8.75885 3.01674 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 717 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.0876 8.75885 3.01674 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.975 8.75885 3.01674 0.154 protocols.relax.FastRelax: CMD: min -80.3871 8.79838 2.92999 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.3871 8.79838 2.92999 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.7276 8.79838 2.92999 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 643 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.7453 8.79838 2.92999 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.9846 8.79838 2.92999 0.31955 protocols.relax.FastRelax: CMD: min -70.7227 8.78337 2.87576 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.7227 8.78337 2.87576 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7688 8.78337 2.87576 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 615 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7745 8.78337 2.87576 0.55 protocols.relax.FastRelax: CMD: min -65.9033 8.69424 2.85031 0.55 protocols.relax.FastRelax: MRP: 3 -65.9033 -65.9033 8.69424 2.85031 protocols.relax.FastRelax: CMD: accept_to_best -65.9033 8.69424 2.85031 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.9033 8.69424 2.85031 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9033 8.69424 2.85031 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.0322 8.69424 2.85031 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 589 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.5133 8.69424 2.85031 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9753 8.69424 2.85031 0.02805 protocols.relax.FastRelax: CMD: min -90.348 8.76832 3.00371 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.348 8.76832 3.00371 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.0542 8.76832 3.00371 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 718 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.3595 8.76832 3.00371 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2371 8.76832 3.00371 0.154 protocols.relax.FastRelax: CMD: min -79.2291 8.73899 2.84366 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.2291 8.73899 2.84366 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7394 8.73899 2.84366 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 693 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.2755 8.73899 2.84366 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -66.3277 8.73899 2.84366 0.31955 protocols.relax.FastRelax: CMD: min -72.8673 8.79084 2.8349 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8673 8.79084 2.8349 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8046 8.79084 2.8349 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 631 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.876 8.79084 2.8349 0.55 protocols.relax.FastRelax: CMD: min -66.5075 8.69942 2.86529 0.55 protocols.relax.FastRelax: MRP: 4 -66.5075 -66.5075 8.69942 2.86529 protocols.relax.FastRelax: CMD: accept_to_best -66.5075 8.69942 2.86529 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.5075 8.69942 2.86529 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_44.pdb protocols.relax.FastRelax: CMD: repeat 15239.9 7.72855 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15239.9 7.72855 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1749.85 7.72855 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 45.639 7.72855 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 74.6758 7.72855 0 0.02805 protocols.relax.FastRelax: CMD: min -77.2068 7.46799 1.13929 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.2068 7.46799 1.13929 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -31.3579 7.46799 1.13929 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9927 7.46799 1.13929 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -32.072 7.46799 1.13929 0.154 protocols.relax.FastRelax: CMD: min -60.0747 7.43977 0.910487 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.0747 7.43977 0.910487 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.9443 7.43977 0.910487 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.9976 7.43977 0.910487 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.9943 7.43977 0.910487 0.31955 protocols.relax.FastRelax: CMD: min -47.8201 7.39319 0.931741 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.8201 7.39319 0.931741 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.642 7.39319 0.931741 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -33.6441 7.39319 0.931741 0.55 protocols.relax.FastRelax: CMD: min -53.6512 7.11642 2.53503 0.55 protocols.relax.FastRelax: MRP: 0 -53.6512 -53.6512 7.11642 2.53503 protocols.relax.FastRelax: CMD: accept_to_best -53.6512 7.11642 2.53503 0.55 protocols.relax.FastRelax: CMD: endrepeat -53.6512 7.11642 2.53503 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -53.6512 7.11642 2.53503 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7703 7.11642 2.53503 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.7907 7.11642 2.53503 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1392 7.11642 2.53503 0.02805 protocols.relax.FastRelax: CMD: min -90.2291 7.00015 2.69447 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.2291 7.00015 2.69447 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6408 7.00015 2.69447 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.2621 7.00015 2.69447 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.8721 7.00015 2.69447 0.154 protocols.relax.FastRelax: CMD: min -75.7386 7.04965 2.6673 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.7386 7.04965 2.6673 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6977 7.04965 2.6673 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.2113 7.04965 2.6673 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3529 7.04965 2.6673 0.31955 protocols.relax.FastRelax: CMD: min -65.116 7.05101 2.65672 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.116 7.05101 2.65672 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.0516 7.05101 2.65672 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 436 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.1601 7.05101 2.65672 0.55 protocols.relax.FastRelax: CMD: min -67.353 6.94875 3.61613 0.55 protocols.relax.FastRelax: MRP: 1 -67.353 -67.353 6.94875 3.61613 protocols.relax.FastRelax: CMD: accept_to_best -67.353 6.94875 3.61613 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.353 6.94875 3.61613 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.353 6.94875 3.61613 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.4653 6.94875 3.61613 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 527 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.4669 6.94875 3.61613 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.7647 6.94875 3.61613 0.02805 protocols.relax.FastRelax: CMD: min -101.084 7.03771 3.88806 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.084 7.03771 3.88806 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.128 7.03771 3.88806 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.8557 7.03771 3.88806 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5036 7.03771 3.88806 0.154 protocols.relax.FastRelax: CMD: min -84.7595 6.94711 3.78834 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.7595 6.94711 3.78834 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.4462 6.94711 3.78834 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 461 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.8374 6.94711 3.78834 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.7964 6.94711 3.78834 0.31955 protocols.relax.FastRelax: CMD: min -76.9393 6.97636 3.71363 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.9393 6.97636 3.71363 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.4771 6.97636 3.71363 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.7046 6.97636 3.71363 0.55 protocols.relax.FastRelax: CMD: min -69.4743 6.94239 3.69923 0.55 protocols.relax.FastRelax: MRP: 2 -69.4743 -69.4743 6.94239 3.69923 protocols.relax.FastRelax: CMD: accept_to_best -69.4743 6.94239 3.69923 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.4743 6.94239 3.69923 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4743 6.94239 3.69923 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.5136 6.94239 3.69923 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.768 6.94239 3.69923 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.2121 6.94239 3.69923 0.02805 protocols.relax.FastRelax: CMD: min -101.912 7.02742 3.89757 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.912 7.02742 3.89757 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.6049 7.02742 3.89757 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.9013 7.02742 3.89757 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.2938 7.02742 3.89757 0.154 protocols.relax.FastRelax: CMD: min -87.9082 6.96014 3.7996 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.9082 6.96014 3.7996 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.2783 6.96014 3.7996 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.7007 6.96014 3.7996 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.7871 6.96014 3.7996 0.31955 protocols.relax.FastRelax: CMD: min -78.1863 6.93801 3.72485 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.1863 6.93801 3.72485 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8113 6.93801 3.72485 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.0512 6.93801 3.72485 0.55 protocols.relax.FastRelax: CMD: min -69.4242 6.94561 3.69625 0.55 protocols.relax.FastRelax: MRP: 3 -69.4242 -69.4743 6.94239 3.69923 protocols.relax.FastRelax: CMD: accept_to_best -69.4242 6.94561 3.69625 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.4242 6.94561 3.69625 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4242 6.94561 3.69625 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.4709 6.94561 3.69625 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.7203 6.94561 3.69625 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9383 6.94561 3.69625 0.02805 protocols.relax.FastRelax: CMD: min -105.69 7.01546 3.77242 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -105.69 7.01546 3.77242 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7257 7.01546 3.77242 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.7244 7.01546 3.77242 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.9906 7.01546 3.77242 0.154 protocols.relax.FastRelax: CMD: min -88.1593 6.95016 3.80042 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.1593 6.95016 3.80042 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.1383 6.95016 3.80042 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6867 6.95016 3.80042 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.7515 6.95016 3.80042 0.31955 protocols.relax.FastRelax: CMD: min -78.3708 6.93461 3.71465 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.3708 6.93461 3.71465 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6648 6.93461 3.71465 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.6648 6.93461 3.71465 0.55 protocols.relax.FastRelax: CMD: min -69.4423 6.94615 3.69113 0.55 protocols.relax.FastRelax: MRP: 4 -69.4423 -69.4743 6.94239 3.69923 protocols.relax.FastRelax: CMD: accept_to_best -69.4423 6.94615 3.69113 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.4423 6.94615 3.69113 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_4.pdb protocols.relax.FastRelax: CMD: repeat 16867.6 7.34432 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16867.6 7.34432 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1875.17 7.34432 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.1948 7.34432 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -9.77773 7.34432 0 0.02805 protocols.relax.FastRelax: CMD: min -55.7677 7.27252 1.55043 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -55.7677 7.27252 1.55043 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -4.191 7.27252 1.55043 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 534 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.2018 7.27252 1.55043 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -8.13761 7.27252 1.55043 0.154 protocols.relax.FastRelax: CMD: min -60.2737 7.26176 1.71715 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.2737 7.26176 1.71715 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.46 7.26176 1.71715 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.2476 7.26176 1.71715 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -50.3749 7.26176 1.71715 0.31955 protocols.relax.FastRelax: CMD: min -50.6486 7.25734 1.70269 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -50.6486 7.25734 1.70269 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.4339 7.25734 1.70269 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.9421 7.25734 1.70269 0.55 protocols.relax.FastRelax: CMD: min -56.5181 7.46289 2.13681 0.55 protocols.relax.FastRelax: MRP: 0 -56.5181 -56.5181 7.46289 2.13681 protocols.relax.FastRelax: CMD: accept_to_best -56.5181 7.46289 2.13681 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.5181 7.46289 2.13681 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.5181 7.46289 2.13681 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7452 7.46289 2.13681 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.8794 7.46289 2.13681 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.332 7.46289 2.13681 0.02805 protocols.relax.FastRelax: CMD: min -87.3214 7.41912 2.26562 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.3214 7.41912 2.26562 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2877 7.41912 2.26562 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.4391 7.41912 2.26562 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6052 7.41912 2.26562 0.154 protocols.relax.FastRelax: CMD: min -73.8924 7.33182 2.09445 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.8924 7.33182 2.09445 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7855 7.33182 2.09445 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.311 7.33182 2.09445 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3657 7.33182 2.09445 0.31955 protocols.relax.FastRelax: CMD: min -65.7545 7.30598 2.06101 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.7545 7.30598 2.06101 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.7531 7.30598 2.06101 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.0726 7.30598 2.06101 0.55 protocols.relax.FastRelax: CMD: min -62.9377 7.26374 2.09613 0.55 protocols.relax.FastRelax: MRP: 1 -62.9377 -62.9377 7.26374 2.09613 protocols.relax.FastRelax: CMD: accept_to_best -62.9377 7.26374 2.09613 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.9377 7.26374 2.09613 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.9377 7.26374 2.09613 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1795 7.26374 2.09613 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.7012 7.26374 2.09613 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2451 7.26374 2.09613 0.02805 protocols.relax.FastRelax: CMD: min -95.0953 7.18298 2.30042 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.0953 7.18298 2.30042 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1224 7.18298 2.30042 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 607 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.9455 7.18298 2.30042 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9409 7.18298 2.30042 0.154 protocols.relax.FastRelax: CMD: min -80.1514 7.15443 2.16942 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.1514 7.15443 2.16942 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.9541 7.15443 2.16942 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.9567 7.15443 2.16942 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -68.0737 7.15443 2.16942 0.31955 protocols.relax.FastRelax: CMD: min -69.0182 7.16341 2.13196 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.0182 7.16341 2.13196 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6537 7.16341 2.13196 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 544 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.7374 7.16341 2.13196 0.55 protocols.relax.FastRelax: CMD: min -63.1135 7.22429 2.10249 0.55 protocols.relax.FastRelax: MRP: 2 -63.1135 -63.1135 7.22429 2.10249 protocols.relax.FastRelax: CMD: accept_to_best -63.1135 7.22429 2.10249 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.1135 7.22429 2.10249 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.1135 7.22429 2.10249 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.5684 7.22429 2.10249 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 481 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.2471 7.22429 2.10249 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.7926 7.22429 2.10249 0.02805 protocols.relax.FastRelax: CMD: min -94.9718 7.24794 2.28711 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.9718 7.24794 2.28711 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3742 7.24794 2.28711 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.7516 7.24794 2.28711 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3571 7.24794 2.28711 0.154 protocols.relax.FastRelax: CMD: min -80.9999 7.17107 2.16565 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.9999 7.17107 2.16565 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.8993 7.17107 2.16565 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.1547 7.17107 2.16565 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.3648 7.17107 2.16565 0.31955 protocols.relax.FastRelax: CMD: min -71.845 7.18228 2.17029 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -71.845 7.18228 2.17029 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.3106 7.18228 2.17029 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3256 7.18228 2.17029 0.55 protocols.relax.FastRelax: CMD: min -64.7172 7.19029 2.11734 0.55 protocols.relax.FastRelax: MRP: 3 -64.7172 -64.7172 7.19029 2.11734 protocols.relax.FastRelax: CMD: accept_to_best -64.7172 7.19029 2.11734 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.7172 7.19029 2.11734 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.7172 7.19029 2.11734 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -83.7496 7.19029 2.11734 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 605 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.1145 7.19029 2.11734 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.6544 7.19029 2.11734 0.02805 protocols.relax.FastRelax: CMD: min -96.1437 7.23803 2.3292 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.1437 7.23803 2.3292 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.6462 7.23803 2.3292 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 573 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.1866 7.23803 2.3292 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7338 7.23803 2.3292 0.154 protocols.relax.FastRelax: CMD: min -82.3998 7.17619 2.19304 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.3998 7.17619 2.19304 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.1177 7.17619 2.19304 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.1195 7.17619 2.19304 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3089 7.17619 2.19304 0.31955 protocols.relax.FastRelax: CMD: min -73.4135 7.15635 2.12646 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4135 7.15635 2.12646 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5715 7.15635 2.12646 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.5861 7.15635 2.12646 0.55 protocols.relax.FastRelax: CMD: min -64.7182 7.19021 2.11769 0.55 protocols.relax.FastRelax: MRP: 4 -64.7182 -64.7182 7.19021 2.11769 protocols.relax.FastRelax: CMD: accept_to_best -64.7182 7.19021 2.11769 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.7182 7.19021 2.11769 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_24.pdb protocols.relax.FastRelax: CMD: repeat 15791.8 8.19251 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15791.8 8.19251 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1738.69 8.19251 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 745 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 4.30079 8.19251 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 13.0807 8.19251 0 0.02805 protocols.relax.FastRelax: CMD: min -65.6681 9.00138 1.71744 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.6681 9.00138 1.71744 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -35.6343 9.00138 1.71744 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 683 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.829 9.00138 1.71744 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -39.1095 9.00138 1.71744 0.154 protocols.relax.FastRelax: CMD: min -55.3383 9.0559 1.60357 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3383 9.0559 1.60357 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1922 9.0559 1.60357 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.7093 9.0559 1.60357 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8313 9.0559 1.60357 0.31955 protocols.relax.FastRelax: CMD: min -43.4238 9.05217 1.58962 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4238 9.05217 1.58962 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.354 9.05217 1.58962 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 550 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.3382 9.05217 1.58962 0.55 protocols.relax.FastRelax: CMD: min -55.506 8.96092 1.76632 0.55 protocols.relax.FastRelax: MRP: 0 -55.506 -55.506 8.96092 1.76632 protocols.relax.FastRelax: CMD: accept_to_best -55.506 8.96092 1.76632 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.506 8.96092 1.76632 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.506 8.96092 1.76632 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.5619 8.96092 1.76632 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 697 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.1524 8.96092 1.76632 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.9403 8.96092 1.76632 0.02805 protocols.relax.FastRelax: CMD: min -88.1833 9.10929 2.15249 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.1833 9.10929 2.15249 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5963 9.10929 2.15249 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.5487 9.10929 2.15249 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2531 9.10929 2.15249 0.154 protocols.relax.FastRelax: CMD: min -73.6046 9.085 2.08641 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6046 9.085 2.08641 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8227 9.085 2.08641 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.1384 9.085 2.08641 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2948 9.085 2.08641 0.31955 protocols.relax.FastRelax: CMD: min -65.32 9.06307 2.04823 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.32 9.06307 2.04823 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.937 9.06307 2.04823 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.0473 9.06307 2.04823 0.55 protocols.relax.FastRelax: CMD: min -62.6036 9.05222 2.01682 0.55 protocols.relax.FastRelax: MRP: 1 -62.6036 -62.6036 9.05222 2.01682 protocols.relax.FastRelax: CMD: accept_to_best -62.6036 9.05222 2.01682 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.6036 9.05222 2.01682 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.6036 9.05222 2.01682 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.744 9.05222 2.01682 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 765 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.9677 9.05222 2.01682 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.766 9.05222 2.01682 0.02805 protocols.relax.FastRelax: CMD: min -83.1605 9.16157 2.19433 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1605 9.16157 2.19433 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9171 9.16157 2.19433 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 677 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.1541 9.16157 2.19433 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.1798 9.16157 2.19433 0.154 protocols.relax.FastRelax: CMD: min -74.2371 9.15705 2.22454 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.2371 9.15705 2.22454 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2631 9.15705 2.22454 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 651 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.793 9.15705 2.22454 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.083 9.15705 2.22454 0.31955 protocols.relax.FastRelax: CMD: min -69.8842 9.15214 2.19896 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.8842 9.15214 2.19896 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.278 9.15214 2.19896 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.2922 9.15214 2.19896 0.55 protocols.relax.FastRelax: CMD: min -66.9262 9.19974 2.48555 0.55 protocols.relax.FastRelax: MRP: 2 -66.9262 -66.9262 9.19974 2.48555 protocols.relax.FastRelax: CMD: accept_to_best -66.9262 9.19974 2.48555 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.9262 9.19974 2.48555 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.9262 9.19974 2.48555 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.6303 9.19974 2.48555 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 712 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.6212 9.19974 2.48555 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.2101 9.19974 2.48555 0.02805 protocols.relax.FastRelax: CMD: min -94.2111 9.18549 2.5363 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.2111 9.18549 2.5363 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.8669 9.18549 2.5363 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.7266 9.18549 2.5363 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.413 9.18549 2.5363 0.154 protocols.relax.FastRelax: CMD: min -82.1688 9.18462 2.52736 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.1688 9.18462 2.52736 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.4744 9.18462 2.52736 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5585 9.18462 2.52736 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7786 9.18462 2.52736 0.31955 protocols.relax.FastRelax: CMD: min -73.9291 9.17323 2.49765 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -73.9291 9.17323 2.49765 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2159 9.17323 2.49765 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.233 9.17323 2.49765 0.55 protocols.relax.FastRelax: CMD: min -67.6577 9.19913 2.49178 0.55 protocols.relax.FastRelax: MRP: 3 -67.6577 -67.6577 9.19913 2.49178 protocols.relax.FastRelax: CMD: accept_to_best -67.6577 9.19913 2.49178 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.6577 9.19913 2.49178 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.6577 9.19913 2.49178 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.5101 9.19913 2.49178 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 770 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.3153 9.19913 2.49178 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.8945 9.19913 2.49178 0.02805 protocols.relax.FastRelax: CMD: min -92.2218 9.19545 2.53712 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.2218 9.19545 2.53712 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1245 9.19545 2.53712 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 682 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7562 9.19545 2.53712 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5442 9.19545 2.53712 0.154 protocols.relax.FastRelax: CMD: min -83.1978 9.17861 2.51444 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -83.1978 9.17861 2.51444 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.1543 9.17861 2.51444 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 667 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.1593 9.17861 2.51444 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4472 9.17861 2.51444 0.31955 protocols.relax.FastRelax: CMD: min -74.6776 9.16084 2.46432 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.6776 9.16084 2.46432 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3226 9.16084 2.46432 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 662 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.3355 9.16084 2.46432 0.55 protocols.relax.FastRelax: CMD: min -67.657 9.20205 2.49721 0.55 protocols.relax.FastRelax: MRP: 4 -67.657 -67.6577 9.19913 2.49178 protocols.relax.FastRelax: CMD: accept_to_best -67.657 9.20205 2.49721 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.657 9.20205 2.49721 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_47.pdb protocols.relax.FastRelax: CMD: repeat 16233.5 10.0571 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16233.5 10.0571 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1726.47 10.0571 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 27.8929 10.0571 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 46.2334 10.0571 0 0.02805 protocols.relax.FastRelax: CMD: min -56.7912 10.3092 2.38307 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -56.7912 10.3092 2.38307 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -27.8767 10.3092 2.38307 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.7912 10.3092 2.38307 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -29.0333 10.3092 2.38307 0.154 protocols.relax.FastRelax: CMD: min -43.4673 10.4442 3.19866 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4673 10.4442 3.19866 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -30.7906 10.4442 3.19866 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.8453 10.4442 3.19866 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -29.8515 10.4442 3.19866 0.31955 protocols.relax.FastRelax: CMD: min -29.9908 10.4467 3.2025 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -29.9908 10.4467 3.2025 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -11.2445 10.4467 3.2025 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -11.7863 10.4467 3.2025 0.55 protocols.relax.FastRelax: CMD: min -30.5008 10.0879 2.68567 0.55 protocols.relax.FastRelax: MRP: 0 -30.5008 -30.5008 10.0879 2.68567 protocols.relax.FastRelax: CMD: accept_to_best -30.5008 10.0879 2.68567 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.5008 10.0879 2.68567 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.5008 10.0879 2.68567 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2159 10.0879 2.68567 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.9912 10.0879 2.68567 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3357 10.0879 2.68567 0.02805 protocols.relax.FastRelax: CMD: min -54.4308 10.0868 2.68304 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.4308 10.0868 2.68304 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.6391 10.0868 2.68304 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.6782 10.0868 2.68304 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1952 10.0868 2.68304 0.154 protocols.relax.FastRelax: CMD: min -45.2487 10.0864 2.68155 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2487 10.0864 2.68155 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.251 10.0864 2.68155 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.2512 10.0864 2.68155 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.5417 10.0864 2.68155 0.31955 protocols.relax.FastRelax: CMD: min -35.5952 10.0866 2.68148 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.5952 10.0866 2.68148 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -22.1051 10.0866 2.68148 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -22.1052 10.0866 2.68148 0.55 protocols.relax.FastRelax: CMD: min -30.508 10.0336 2.60732 0.55 protocols.relax.FastRelax: MRP: 1 -30.508 -30.508 10.0336 2.60732 protocols.relax.FastRelax: CMD: accept_to_best -30.508 10.0336 2.60732 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.508 10.0336 2.60732 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.508 10.0336 2.60732 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2814 10.0336 2.60732 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 527 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.0608 10.0336 2.60732 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4081 10.0336 2.60732 0.02805 protocols.relax.FastRelax: CMD: min -54.5063 10.0325 2.60469 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.5063 10.0325 2.60469 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7671 10.0325 2.60469 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.6512 10.0325 2.60469 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1601 10.0325 2.60469 0.154 protocols.relax.FastRelax: CMD: min -45.2159 10.0322 2.60321 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2159 10.0322 2.60321 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0695 10.0322 2.60321 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.7456 10.0322 2.60321 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0309 10.0322 2.60321 0.31955 protocols.relax.FastRelax: CMD: min -34.0912 10.0325 2.60327 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.0912 10.0325 2.60327 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.5066 10.0325 2.60327 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.6993 10.0325 2.60327 0.55 protocols.relax.FastRelax: CMD: min -30.5078 10.0333 2.60839 0.55 protocols.relax.FastRelax: MRP: 2 -30.5078 -30.508 10.0336 2.60732 protocols.relax.FastRelax: CMD: accept_to_best -30.5078 10.0333 2.60839 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.5078 10.0333 2.60839 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.5078 10.0333 2.60839 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2777 10.0333 2.60839 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.0633 10.0333 2.60839 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4093 10.0333 2.60839 0.02805 protocols.relax.FastRelax: CMD: min -54.5074 10.0322 2.60577 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.5074 10.0322 2.60577 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7448 10.0322 2.60577 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.6453 10.0322 2.60577 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1538 10.0322 2.60577 0.154 protocols.relax.FastRelax: CMD: min -45.2096 10.0319 2.6043 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2096 10.0319 2.6043 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.055 10.0319 2.6043 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.0552 10.0319 2.6043 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3333 10.0319 2.6043 0.31955 protocols.relax.FastRelax: CMD: min -35.3937 10.0323 2.60426 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.3937 10.0323 2.60426 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6723 10.0323 2.60426 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -21.6724 10.0323 2.60426 0.55 protocols.relax.FastRelax: CMD: min -30.5079 10.033 2.6078 0.55 protocols.relax.FastRelax: MRP: 3 -30.5079 -30.508 10.0336 2.60732 protocols.relax.FastRelax: CMD: accept_to_best -30.5079 10.033 2.6078 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.5079 10.033 2.6078 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -30.5079 10.033 2.6078 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2771 10.033 2.6078 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.0626 10.033 2.6078 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4091 10.033 2.6078 0.02805 protocols.relax.FastRelax: CMD: min -54.5072 10.0319 2.60518 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.5072 10.0319 2.60518 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7531 10.0319 2.60518 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.6444 10.0319 2.60518 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1529 10.0319 2.60518 0.154 protocols.relax.FastRelax: CMD: min -45.2087 10.0316 2.60371 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -45.2087 10.0316 2.60371 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.0541 10.0316 2.60371 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.0543 10.0316 2.60371 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.3324 10.0316 2.60371 0.31955 protocols.relax.FastRelax: CMD: min -35.3929 10.032 2.60368 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -35.3929 10.032 2.60368 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -21.6716 10.032 2.60368 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.3378 10.032 2.60368 0.55 protocols.relax.FastRelax: CMD: min -30.9727 10.0846 2.71464 0.55 protocols.relax.FastRelax: MRP: 4 -30.9727 -30.9727 10.0846 2.71464 protocols.relax.FastRelax: CMD: accept_to_best -30.9727 10.0846 2.71464 0.55 protocols.relax.FastRelax: CMD: endrepeat -30.9727 10.0846 2.71464 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_7.pdb protocols.relax.FastRelax: CMD: repeat 12359.1 5.85811 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 12359.1 5.85811 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1550.18 5.85811 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.15532 5.85811 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -3.14441 5.85811 0 0.02805 protocols.relax.FastRelax: CMD: min -66.7519 5.20804 3.46482 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -66.7519 5.20804 3.46482 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -43.4541 5.20804 3.46482 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.7723 5.20804 3.46482 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5258 5.20804 3.46482 0.154 protocols.relax.FastRelax: CMD: min -56.043 5.27373 3.48082 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.043 5.27373 3.48082 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.9545 5.27373 3.48082 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.8784 5.27373 3.48082 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.8829 5.27373 3.48082 0.31955 protocols.relax.FastRelax: CMD: min -48.0875 5.26997 3.40034 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.0875 5.26997 3.40034 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.7819 5.26997 3.40034 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.1826 5.26997 3.40034 0.55 protocols.relax.FastRelax: CMD: min 35.0734 6.50219 4.64675 0.55 protocols.relax.FastRelax: MRP: 0 35.0734 35.0734 6.50219 4.64675 protocols.relax.FastRelax: CMD: accept_to_best 35.0734 6.50219 4.64675 0.55 protocols.relax.FastRelax: CMD: endrepeat 35.0734 6.50219 4.64675 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 35.0734 6.50219 4.64675 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -85.042 6.50219 4.64675 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 544 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.6153 6.50219 4.64675 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.336 6.50219 4.64675 0.02805 protocols.relax.FastRelax: CMD: min -103.18 6.3564 4.01845 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -103.18 6.3564 4.01845 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8708 6.3564 4.01845 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 589 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.808 6.3564 4.01845 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9839 6.3564 4.01845 0.154 protocols.relax.FastRelax: CMD: min -87.174 6.28721 4.21941 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.174 6.28721 4.21941 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9775 6.28721 4.21941 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.6988 6.28721 4.21941 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -75.7088 6.28721 4.21941 0.31955 protocols.relax.FastRelax: CMD: min -78.3543 6.30664 4.33935 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -78.3543 6.30664 4.33935 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4773 6.30664 4.33935 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.4776 6.30664 4.33935 0.55 protocols.relax.FastRelax: CMD: min -73.6848 6.34963 4.37919 0.55 protocols.relax.FastRelax: MRP: 1 -73.6848 -73.6848 6.34963 4.37919 protocols.relax.FastRelax: CMD: accept_to_best -73.6848 6.34963 4.37919 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.6848 6.34963 4.37919 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6848 6.34963 4.37919 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -94.6542 6.34963 4.37919 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.117 6.34963 4.37919 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -95.7196 6.34963 4.37919 0.02805 protocols.relax.FastRelax: CMD: min -109.335 6.41329 4.23855 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -109.335 6.41329 4.23855 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2591 6.41329 4.23855 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.7293 6.41329 4.23855 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.1656 6.41329 4.23855 0.154 protocols.relax.FastRelax: CMD: min -92.9981 6.32559 4.27893 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.9981 6.32559 4.27893 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5615 6.32559 4.27893 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.5641 6.32559 4.27893 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -78.5052 6.32559 4.27893 0.31955 protocols.relax.FastRelax: CMD: min -81.6988 6.31319 4.35951 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.6988 6.31319 4.35951 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.6224 6.31319 4.35951 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.6343 6.31319 4.35951 0.55 protocols.relax.FastRelax: CMD: min -75.0888 6.4582 4.594 0.55 protocols.relax.FastRelax: MRP: 2 -75.0888 -75.0888 6.4582 4.594 protocols.relax.FastRelax: CMD: accept_to_best -75.0888 6.4582 4.594 0.55 protocols.relax.FastRelax: CMD: endrepeat -75.0888 6.4582 4.594 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -75.0888 6.4582 4.594 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.4016 6.4582 4.594 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.8576 6.4582 4.594 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.4939 6.4582 4.594 0.02805 protocols.relax.FastRelax: CMD: min -113.79 6.4439 4.2744 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.79 6.4439 4.2744 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -75.5356 6.4439 4.2744 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.5582 6.4439 4.2744 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -79.3054 6.4439 4.2744 0.154 protocols.relax.FastRelax: CMD: min -96.4723 6.35942 4.42743 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.4723 6.35942 4.42743 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.1336 6.35942 4.42743 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.1464 6.35942 4.42743 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0173 6.35942 4.42743 0.31955 protocols.relax.FastRelax: CMD: min -82.2217 6.35281 4.41364 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2217 6.35281 4.41364 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -63.515 6.35281 4.41364 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.5613 6.35281 4.41364 0.55 protocols.relax.FastRelax: CMD: min -78.4398 6.43273 4.54907 0.55 protocols.relax.FastRelax: MRP: 3 -78.4398 -78.4398 6.43273 4.54907 protocols.relax.FastRelax: CMD: accept_to_best -78.4398 6.43273 4.54907 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.4398 6.43273 4.54907 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4398 6.43273 4.54907 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.281 6.43273 4.54907 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.479 6.43273 4.54907 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -101.171 6.43273 4.54907 0.02805 protocols.relax.FastRelax: CMD: min -110.21 6.49923 4.57817 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.21 6.49923 4.57817 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9578 6.49923 4.57817 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.2239 6.49923 4.57817 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -85.6666 6.49923 4.57817 0.154 protocols.relax.FastRelax: CMD: min -97.6912 6.46021 4.52339 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -97.6912 6.46021 4.52339 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.6623 6.46021 4.52339 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.7047 6.46021 4.52339 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -84.7625 6.46021 4.52339 0.31955 protocols.relax.FastRelax: CMD: min -87.2621 6.41187 4.54379 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.2621 6.41187 4.54379 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8129 6.41187 4.54379 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.1923 6.41187 4.54379 0.55 protocols.relax.FastRelax: CMD: min -78.4388 6.43408 4.54023 0.55 protocols.relax.FastRelax: MRP: 4 -78.4388 -78.4398 6.43273 4.54907 protocols.relax.FastRelax: CMD: accept_to_best -78.4388 6.43408 4.54023 0.55 protocols.relax.FastRelax: CMD: endrepeat -78.4388 6.43408 4.54023 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_36.pdb protocols.relax.FastRelax: CMD: repeat 17173.9 9.49906 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 17173.9 9.49906 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1868.77 9.49906 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 447 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.3885 9.49906 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.5695 9.49906 0 0.02805 protocols.relax.FastRelax: CMD: min -83.7 9.92591 1.76773 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.7 9.92591 1.76773 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0417 9.92591 1.76773 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.0193 9.92591 1.76773 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.835 9.92591 1.76773 0.154 protocols.relax.FastRelax: CMD: min -74.3988 10.0553 2.1158 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.3988 10.0553 2.1158 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6625 10.0553 2.1158 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.6168 10.0553 2.1158 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7198 10.0553 2.1158 0.31955 protocols.relax.FastRelax: CMD: min -63.5397 10.0669 2.1375 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5397 10.0669 2.1375 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -48.0228 10.0669 2.1375 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 471 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.0617 10.0669 2.1375 0.55 protocols.relax.FastRelax: CMD: min -68.0283 10.224 2.04996 0.55 protocols.relax.FastRelax: MRP: 0 -68.0283 -68.0283 10.224 2.04996 protocols.relax.FastRelax: CMD: accept_to_best -68.0283 10.224 2.04996 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.0283 10.224 2.04996 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.0283 10.224 2.04996 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.1886 10.224 2.04996 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.333 10.224 2.04996 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9645 10.224 2.04996 0.02805 protocols.relax.FastRelax: CMD: min -101.005 10.2441 2.24526 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.005 10.2441 2.24526 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.9277 10.2441 2.24526 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 544 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.5826 10.2441 2.24526 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.9339 10.2441 2.24526 0.154 protocols.relax.FastRelax: CMD: min -85.1363 10.1986 2.12097 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -85.1363 10.1986 2.12097 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.2167 10.1986 2.12097 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 443 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.2832 10.1986 2.12097 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4259 10.1986 2.12097 0.31955 protocols.relax.FastRelax: CMD: min -76.142 10.2155 2.11558 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.142 10.2155 2.11558 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3584 10.2155 2.11558 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.362 10.2155 2.11558 0.55 protocols.relax.FastRelax: CMD: min -68.7208 10.2139 2.09555 0.55 protocols.relax.FastRelax: MRP: 1 -68.7208 -68.7208 10.2139 2.09555 protocols.relax.FastRelax: CMD: accept_to_best -68.7208 10.2139 2.09555 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.7208 10.2139 2.09555 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.7208 10.2139 2.09555 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.9562 10.2139 2.09555 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.216 10.2139 2.09555 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.856 10.2139 2.09555 0.02805 protocols.relax.FastRelax: CMD: min -101.658 10.1881 2.31811 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.658 10.1881 2.31811 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.372 10.1881 2.31811 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 552 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.628 10.1881 2.31811 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7836 10.1881 2.31811 0.154 protocols.relax.FastRelax: CMD: min -86.8338 10.2025 2.19608 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.8338 10.2025 2.19608 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8372 10.2025 2.19608 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 444 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.858 10.2025 2.19608 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.987 10.2025 2.19608 0.31955 protocols.relax.FastRelax: CMD: min -76.87 10.2088 2.15668 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.87 10.2088 2.15668 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8003 10.2088 2.15668 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 438 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.8054 10.2088 2.15668 0.55 protocols.relax.FastRelax: CMD: min -68.8554 10.2127 2.09547 0.55 protocols.relax.FastRelax: MRP: 2 -68.8554 -68.8554 10.2127 2.09547 protocols.relax.FastRelax: CMD: accept_to_best -68.8554 10.2127 2.09547 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.8554 10.2127 2.09547 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.8554 10.2127 2.09547 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -87.1221 10.2127 2.09547 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.3315 10.2127 2.09547 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9724 10.2127 2.09547 0.02805 protocols.relax.FastRelax: CMD: min -102.669 10.2134 2.38761 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -102.669 10.2134 2.38761 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8384 10.2134 2.38761 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.6983 10.2134 2.38761 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4247 10.2134 2.38761 0.154 protocols.relax.FastRelax: CMD: min -86.0284 10.1786 2.21945 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.0284 10.1786 2.21945 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7219 10.1786 2.21945 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7358 10.1786 2.21945 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8452 10.1786 2.21945 0.31955 protocols.relax.FastRelax: CMD: min -74.4842 10.1638 2.17966 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.4842 10.1638 2.17966 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.2518 10.1638 2.17966 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 439 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.2836 10.1638 2.17966 0.55 protocols.relax.FastRelax: CMD: min -72.194 10.1709 2.10148 0.55 protocols.relax.FastRelax: MRP: 3 -72.194 -72.194 10.1709 2.10148 protocols.relax.FastRelax: CMD: accept_to_best -72.194 10.1709 2.10148 0.55 protocols.relax.FastRelax: CMD: endrepeat -72.194 10.1709 2.10148 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -72.194 10.1709 2.10148 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1569 10.1709 2.10148 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.5939 10.1709 2.10148 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.1058 10.1709 2.10148 0.02805 protocols.relax.FastRelax: CMD: min -107.051 10.1816 2.31798 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.051 10.1816 2.31798 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7312 10.1816 2.31798 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.6234 10.1816 2.31798 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.1718 10.1816 2.31798 0.154 protocols.relax.FastRelax: CMD: min -91.1155 10.1692 2.18188 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -91.1155 10.1692 2.18188 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -78.09 10.1692 2.18188 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.6986 10.1692 2.18188 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -77.6745 10.1692 2.18188 0.31955 protocols.relax.FastRelax: CMD: min -80.3699 10.1252 2.10145 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -80.3699 10.1252 2.10145 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.2094 10.1252 2.10145 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 440 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.6508 10.1252 2.10145 0.55 protocols.relax.FastRelax: CMD: min -73.928 10.1547 2.12714 0.55 protocols.relax.FastRelax: MRP: 4 -73.928 -73.928 10.1547 2.12714 protocols.relax.FastRelax: CMD: accept_to_best -73.928 10.1547 2.12714 0.55 protocols.relax.FastRelax: CMD: endrepeat -73.928 10.1547 2.12714 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_29.pdb protocols.relax.FastRelax: CMD: repeat 16133.3 6.5334 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16133.3 6.5334 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1728.71 6.5334 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 531 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.9381 6.5334 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.1282 6.5334 0 0.02805 protocols.relax.FastRelax: CMD: min -53.6254 6.8348 0.960556 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -53.6254 6.8348 0.960556 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 5.9669 6.8348 0.960556 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.8584 6.8348 0.960556 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -25.8221 6.8348 0.960556 0.154 protocols.relax.FastRelax: CMD: min -65.6531 6.849 1.09601 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.6531 6.849 1.09601 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.972 6.849 1.09601 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.7934 6.849 1.09601 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.7239 6.849 1.09601 0.31955 protocols.relax.FastRelax: CMD: min -56.4811 6.8232 1.09178 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.4811 6.8232 1.09178 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.4199 6.8232 1.09178 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.4751 6.8232 1.09178 0.55 protocols.relax.FastRelax: CMD: min -59.7459 6.77935 1.55493 0.55 protocols.relax.FastRelax: MRP: 0 -59.7459 -59.7459 6.77935 1.55493 protocols.relax.FastRelax: CMD: accept_to_best -59.7459 6.77935 1.55493 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.7459 6.77935 1.55493 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.7459 6.77935 1.55493 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.108 6.77935 1.55493 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.1746 6.77935 1.55493 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.9372 6.77935 1.55493 0.02805 protocols.relax.FastRelax: CMD: min -98.8704 6.96763 1.89364 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.8704 6.96763 1.89364 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8244 6.96763 1.89364 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.2929 6.96763 1.89364 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.027 6.96763 1.89364 0.154 protocols.relax.FastRelax: CMD: min -78.4822 6.84758 1.72849 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4822 6.84758 1.72849 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.4235 6.84758 1.72849 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.9874 6.84758 1.72849 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0209 6.84758 1.72849 0.31955 protocols.relax.FastRelax: CMD: min -69.643 6.83466 1.73644 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.643 6.83466 1.73644 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6828 6.83466 1.73644 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.6867 6.83466 1.73644 0.55 protocols.relax.FastRelax: CMD: min -66.843 6.88286 1.95501 0.55 protocols.relax.FastRelax: MRP: 1 -66.843 -66.843 6.88286 1.95501 protocols.relax.FastRelax: CMD: accept_to_best -66.843 6.88286 1.95501 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.843 6.88286 1.95501 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.843 6.88286 1.95501 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -82.6535 6.88286 1.95501 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.561 6.88286 1.95501 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -83.3152 6.88286 1.95501 0.02805 protocols.relax.FastRelax: CMD: min -91.6226 6.93861 1.62923 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -91.6226 6.93861 1.62923 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -61.221 6.93861 1.62923 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.4221 6.93861 1.62923 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7111 6.93861 1.62923 0.154 protocols.relax.FastRelax: CMD: min -80.5488 6.91784 1.81877 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.5488 6.91784 1.81877 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9799 6.91784 1.81877 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.7462 6.91784 1.81877 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.0897 6.91784 1.81877 0.31955 protocols.relax.FastRelax: CMD: min -72.6051 6.90744 1.81529 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -72.6051 6.90744 1.81529 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.0471 6.90744 1.81529 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.405 6.90744 1.81529 0.55 protocols.relax.FastRelax: CMD: min -74.122 6.88054 2.19031 0.55 protocols.relax.FastRelax: MRP: 2 -74.122 -74.122 6.88054 2.19031 protocols.relax.FastRelax: CMD: accept_to_best -74.122 6.88054 2.19031 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.122 6.88054 2.19031 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.122 6.88054 2.19031 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.6866 6.88054 2.19031 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.5349 6.88054 2.19031 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.1119 6.88054 2.19031 0.02805 protocols.relax.FastRelax: CMD: min -107.641 6.92406 1.70104 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.641 6.92406 1.70104 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4031 6.92406 1.70104 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.8907 6.92406 1.70104 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.1462 6.92406 1.70104 0.154 protocols.relax.FastRelax: CMD: min -92.086 6.87763 1.89382 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -92.086 6.87763 1.89382 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0161 6.87763 1.89382 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.0291 6.87763 1.89382 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0803 6.87763 1.89382 0.31955 protocols.relax.FastRelax: CMD: min -82.8796 6.86714 1.96039 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8796 6.86714 1.96039 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.9276 6.86714 1.96039 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.9282 6.86714 1.96039 0.55 protocols.relax.FastRelax: CMD: min -76.9546 6.85697 2.19999 0.55 protocols.relax.FastRelax: MRP: 3 -76.9546 -76.9546 6.85697 2.19999 protocols.relax.FastRelax: CMD: accept_to_best -76.9546 6.85697 2.19999 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.9546 6.85697 2.19999 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -76.9546 6.85697 2.19999 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.8261 6.85697 2.19999 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 552 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.7403 6.85697 2.19999 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.9359 6.85697 2.19999 0.02805 protocols.relax.FastRelax: CMD: min -100.86 6.9093 1.96944 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -100.86 6.9093 1.96944 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7661 6.9093 1.96944 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.7305 6.9093 1.96944 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6494 6.9093 1.96944 0.154 protocols.relax.FastRelax: CMD: min -91.4374 6.88292 2.1584 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -91.4374 6.88292 2.1584 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2898 6.88292 2.1584 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.3377 6.88292 2.1584 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6372 6.88292 2.1584 0.31955 protocols.relax.FastRelax: CMD: min -82.8003 6.86784 2.16629 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -82.8003 6.86784 2.16629 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -71.3554 6.86784 2.16629 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.3794 6.86784 2.16629 0.55 protocols.relax.FastRelax: CMD: min -76.9715 6.85865 2.19026 0.55 protocols.relax.FastRelax: MRP: 4 -76.9715 -76.9715 6.85865 2.19026 protocols.relax.FastRelax: CMD: accept_to_best -76.9715 6.85865 2.19026 0.55 protocols.relax.FastRelax: CMD: endrepeat -76.9715 6.85865 2.19026 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_9.pdb protocols.relax.FastRelax: CMD: repeat 14423.7 8.03493 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14423.7 8.03493 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1743.41 8.03493 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 493 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -9.52038 8.03493 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -6.6699 8.03493 0 0.02805 protocols.relax.FastRelax: CMD: min -80.9724 7.14981 2.4767 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -80.9724 7.14981 2.4767 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.4027 7.14981 2.4767 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 549 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.9869 7.14981 2.4767 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3062 7.14981 2.4767 0.154 protocols.relax.FastRelax: CMD: min -77.2202 7.85395 2.87939 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.2202 7.85395 2.87939 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8876 7.85395 2.87939 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 530 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.3221 7.85395 2.87939 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4741 7.85395 2.87939 0.31955 protocols.relax.FastRelax: CMD: min -66.1686 7.84075 2.84801 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.1686 7.84075 2.84801 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -51.1939 7.84075 2.84801 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.2343 7.84075 2.84801 0.55 protocols.relax.FastRelax: CMD: min -74.0205 8.10331 3.44821 0.55 protocols.relax.FastRelax: MRP: 0 -74.0205 -74.0205 8.10331 3.44821 protocols.relax.FastRelax: CMD: accept_to_best -74.0205 8.10331 3.44821 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.0205 8.10331 3.44821 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.0205 8.10331 3.44821 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -93.1688 8.10331 3.44821 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.7355 8.10331 3.44821 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -94.436 8.10331 3.44821 0.02805 protocols.relax.FastRelax: CMD: min -112.98 8.08796 4.06034 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -112.98 8.08796 4.06034 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -80.1528 8.08796 4.06034 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.4391 8.08796 4.06034 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -80.4957 8.08796 4.06034 0.154 protocols.relax.FastRelax: CMD: min -96.2586 8.0613 3.87834 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -96.2586 8.0613 3.87834 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6729 8.0613 3.87834 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 556 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.979 8.0613 3.87834 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -83.0108 8.0613 3.87834 0.31955 protocols.relax.FastRelax: CMD: min -84.4015 8.04595 3.82922 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -84.4015 8.04595 3.82922 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -68.3716 8.04595 3.82922 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 502 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.4076 8.04595 3.82922 0.55 protocols.relax.FastRelax: CMD: min -81.1918 8.22556 3.75291 0.55 protocols.relax.FastRelax: MRP: 1 -81.1918 -81.1918 8.22556 3.75291 protocols.relax.FastRelax: CMD: accept_to_best -81.1918 8.22556 3.75291 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.1918 8.22556 3.75291 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.1918 8.22556 3.75291 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.694 8.22556 3.75291 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 572 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.533 8.22556 3.75291 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.114 8.22556 3.75291 0.02805 protocols.relax.FastRelax: CMD: min -113.574 8.16214 3.93187 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -113.574 8.16214 3.93187 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7924 8.16214 3.93187 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.4516 8.16214 3.93187 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3182 8.16214 3.93187 0.154 protocols.relax.FastRelax: CMD: min -99.5857 8.18749 3.92298 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -99.5857 8.18749 3.92298 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.5767 8.18749 3.92298 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 571 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.0084 8.18749 3.92298 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0664 8.18749 3.92298 0.31955 protocols.relax.FastRelax: CMD: min -88.5369 8.16345 3.86998 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.5369 8.16345 3.86998 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1019 8.16345 3.86998 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6147 8.16345 3.86998 0.55 protocols.relax.FastRelax: CMD: min -81.3119 8.16853 3.72698 0.55 protocols.relax.FastRelax: MRP: 2 -81.3119 -81.3119 8.16853 3.72698 protocols.relax.FastRelax: CMD: accept_to_best -81.3119 8.16853 3.72698 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.3119 8.16853 3.72698 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3119 8.16853 3.72698 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -102.446 8.16853 3.72698 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -104.625 8.16853 3.72698 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -104.204 8.16853 3.72698 0.02805 protocols.relax.FastRelax: CMD: min -111.087 8.18299 3.83632 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -111.087 8.18299 3.83632 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7815 8.18299 3.83632 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.7542 8.18299 3.83632 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7841 8.18299 3.83632 0.154 protocols.relax.FastRelax: CMD: min -97.0123 8.20584 3.72973 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -97.0123 8.20584 3.72973 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -85.5847 8.20584 3.72973 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.5851 8.20584 3.72973 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -85.6894 8.20584 3.72973 0.31955 protocols.relax.FastRelax: CMD: min -87.957 8.21067 3.72245 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -87.957 8.21067 3.72245 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -75.4728 8.21067 3.72245 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.5026 8.21067 3.72245 0.55 protocols.relax.FastRelax: CMD: min -79.9408 8.12127 3.73189 0.55 protocols.relax.FastRelax: MRP: 3 -79.9408 -81.3119 8.16853 3.72698 protocols.relax.FastRelax: CMD: accept_to_best -79.9408 8.12127 3.73189 0.55 protocols.relax.FastRelax: CMD: endrepeat -79.9408 8.12127 3.73189 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -79.9408 8.12127 3.73189 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -100.86 8.12127 3.73189 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.937 8.12127 3.73189 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -103.503 8.12127 3.73189 0.02805 protocols.relax.FastRelax: CMD: min -116.665 8.04362 3.9861 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -116.665 8.04362 3.9861 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -83.6043 8.04362 3.9861 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 545 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.7317 8.04362 3.9861 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -84.774 8.04362 3.9861 0.154 protocols.relax.FastRelax: CMD: min -100.219 8.08508 3.91313 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -100.219 8.08508 3.91313 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -87.955 8.08508 3.91313 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.4573 8.08508 3.91313 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -87.498 8.08508 3.91313 0.31955 protocols.relax.FastRelax: CMD: min -88.74 8.07564 3.91036 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -88.74 8.07564 3.91036 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2976 8.07564 3.91036 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.3201 8.07564 3.91036 0.55 protocols.relax.FastRelax: CMD: min -81.2941 8.13479 3.78815 0.55 protocols.relax.FastRelax: MRP: 4 -81.2941 -81.3119 8.16853 3.72698 protocols.relax.FastRelax: CMD: accept_to_best -81.2941 8.13479 3.78815 0.55 protocols.relax.FastRelax: CMD: endrepeat -81.2941 8.13479 3.78815 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_34.pdb protocols.relax.FastRelax: CMD: repeat 15328.8 9.50475 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15328.8 9.50475 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1625.63 9.50475 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 29.5611 9.50475 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 51.7076 9.50475 0 0.02805 protocols.relax.FastRelax: CMD: min -57.8449 9.27177 1.85243 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8449 9.27177 1.85243 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -19.6225 9.27177 1.85243 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 550 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.4826 9.27177 1.85243 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.8774 9.27177 1.85243 0.154 protocols.relax.FastRelax: CMD: min -49.1137 9.42776 2.11787 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.1137 9.42776 2.11787 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.3628 9.42776 2.11787 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.7285 9.42776 2.11787 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7299 9.42776 2.11787 0.31955 protocols.relax.FastRelax: CMD: min -41.7839 9.32028 2.04845 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -41.7839 9.32028 2.04845 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.0312 9.32028 2.04845 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.5459 9.32028 2.04845 0.55 protocols.relax.FastRelax: CMD: min -59.6939 9.27909 2.60572 0.55 protocols.relax.FastRelax: MRP: 0 -59.6939 -59.6939 9.27909 2.60572 protocols.relax.FastRelax: CMD: accept_to_best -59.6939 9.27909 2.60572 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.6939 9.27909 2.60572 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -59.6939 9.27909 2.60572 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.8944 9.27909 2.60572 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 597 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -88.2713 9.27909 2.60572 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.9552 9.27909 2.60572 0.02805 protocols.relax.FastRelax: CMD: min -108.65 9.23053 2.78886 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.65 9.23053 2.78886 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7857 9.23053 2.78886 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.5112 9.23053 2.78886 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.1622 9.23053 2.78886 0.154 protocols.relax.FastRelax: CMD: min -82.7991 9.2121 2.71276 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.7991 9.2121 2.71276 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2878 9.2121 2.71276 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 536 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.0477 9.2121 2.71276 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6733 9.2121 2.71276 0.31955 protocols.relax.FastRelax: CMD: min -70.0886 9.17693 2.6981 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.0886 9.17693 2.6981 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.2226 9.17693 2.6981 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 519 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7859 9.17693 2.6981 0.55 protocols.relax.FastRelax: CMD: min -67.1329 9.21481 2.61481 0.55 protocols.relax.FastRelax: MRP: 1 -67.1329 -67.1329 9.21481 2.61481 protocols.relax.FastRelax: CMD: accept_to_best -67.1329 9.21481 2.61481 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.1329 9.21481 2.61481 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.1329 9.21481 2.61481 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -90.6565 9.21481 2.61481 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.5253 9.21481 2.61481 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.5019 9.21481 2.61481 0.02805 protocols.relax.FastRelax: CMD: min -108.229 9.19783 2.87837 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.229 9.19783 2.87837 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.616 9.19783 2.87837 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 553 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.8244 9.19783 2.87837 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4579 9.19783 2.87837 0.154 protocols.relax.FastRelax: CMD: min -88.3385 9.2097 2.74034 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -88.3385 9.2097 2.74034 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.2559 9.2097 2.74034 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 543 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.3947 9.2097 2.74034 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -71.1302 9.2097 2.74034 0.31955 protocols.relax.FastRelax: CMD: min -74.9659 9.23631 2.63617 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9659 9.23631 2.63617 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5619 9.23631 2.63617 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.6296 9.23631 2.63617 0.55 protocols.relax.FastRelax: CMD: min -67.2141 9.21733 2.58675 0.55 protocols.relax.FastRelax: MRP: 2 -67.2141 -67.2141 9.21733 2.58675 protocols.relax.FastRelax: CMD: accept_to_best -67.2141 9.21733 2.58675 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.2141 9.21733 2.58675 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.2141 9.21733 2.58675 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.7087 9.21733 2.58675 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 617 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.5846 9.21733 2.58675 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.2092 9.21733 2.58675 0.02805 protocols.relax.FastRelax: CMD: min -108.815 9.19474 2.79627 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.815 9.19474 2.79627 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6963 9.19474 2.79627 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.2815 9.19474 2.79627 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.8717 9.19474 2.79627 0.154 protocols.relax.FastRelax: CMD: min -86.242 9.22801 2.6785 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.242 9.22801 2.6785 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2673 9.22801 2.6785 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.1433 9.22801 2.6785 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -69.7782 9.22801 2.6785 0.31955 protocols.relax.FastRelax: CMD: min -76.2645 9.22477 2.60715 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.2645 9.22477 2.60715 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5071 9.22477 2.60715 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.553 9.22477 2.60715 0.55 protocols.relax.FastRelax: CMD: min -67.2246 9.21667 2.58778 0.55 protocols.relax.FastRelax: MRP: 3 -67.2246 -67.2246 9.21667 2.58778 protocols.relax.FastRelax: CMD: accept_to_best -67.2246 9.21667 2.58778 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.2246 9.21667 2.58778 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.2246 9.21667 2.58778 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.6929 9.21667 2.58778 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 617 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.5572 9.21667 2.58778 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1824 9.21667 2.58778 0.02805 protocols.relax.FastRelax: CMD: min -110.577 9.19325 2.75586 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -110.577 9.19325 2.75586 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.1671 9.19325 2.75586 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 570 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.9587 9.19325 2.75586 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.4939 9.19325 2.75586 0.154 protocols.relax.FastRelax: CMD: min -89.9687 9.21845 2.64506 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.9687 9.21845 2.64506 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.7796 9.21845 2.64506 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.4393 9.21845 2.64506 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.1659 9.21845 2.64506 0.31955 protocols.relax.FastRelax: CMD: min -77.9026 9.21103 2.60347 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.9026 9.21103 2.60347 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.991 9.21103 2.60347 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.9955 9.21103 2.60347 0.55 protocols.relax.FastRelax: CMD: min -67.6904 9.22195 2.56287 0.55 protocols.relax.FastRelax: MRP: 4 -67.6904 -67.6904 9.22195 2.56287 protocols.relax.FastRelax: CMD: accept_to_best -67.6904 9.22195 2.56287 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.6904 9.22195 2.56287 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_13.pdb protocols.relax.FastRelax: CMD: repeat 11518.7 9.57552 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11518.7 9.57552 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1606.03 9.57552 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 592 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.0586 9.57552 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -9.49568 9.57552 0 0.02805 protocols.relax.FastRelax: CMD: min -42.8787 9.22382 1.39293 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -42.8787 9.22382 1.39293 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 8.67926 9.22382 1.39293 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -4.30307 9.22382 1.39293 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -1.91939 9.22382 1.39293 0.154 protocols.relax.FastRelax: CMD: min -50.8372 9.17108 1.62095 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -50.8372 9.17108 1.62095 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -38.5526 9.17108 1.62095 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 619 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.3454 9.17108 1.62095 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -38.393 9.17108 1.62095 0.31955 protocols.relax.FastRelax: CMD: min -40.5217 9.1448 1.5782 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.5217 9.1448 1.5782 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -27.768 9.1448 1.5782 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 612 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.774 9.1448 1.5782 0.55 protocols.relax.FastRelax: CMD: min -39.7152 9.12826 1.69793 0.55 protocols.relax.FastRelax: MRP: 0 -39.7152 -39.7152 9.12826 1.69793 protocols.relax.FastRelax: CMD: accept_to_best -39.7152 9.12826 1.69793 0.55 protocols.relax.FastRelax: CMD: endrepeat -39.7152 9.12826 1.69793 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -39.7152 9.12826 1.69793 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -56.1761 9.12826 1.69793 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 566 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3976 9.12826 1.69793 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -57.8884 9.12826 1.69793 0.02805 protocols.relax.FastRelax: CMD: min -79.4959 9.19537 2.10017 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -79.4959 9.19537 2.10017 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -28.9186 9.19537 2.10017 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 618 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.2481 9.19537 2.10017 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -36.8762 9.19537 2.10017 0.154 protocols.relax.FastRelax: CMD: min -57.5732 9.15433 2.05626 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -57.5732 9.15433 2.05626 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -44.4683 9.15433 2.05626 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 715 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.7515 9.15433 2.05626 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -43.7418 9.15433 2.05626 0.31955 protocols.relax.FastRelax: CMD: min -45.682 9.15027 2.01413 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.682 9.15027 2.01413 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -30.9497 9.15027 2.01413 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 648 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -31.1644 9.15027 2.01413 0.55 protocols.relax.FastRelax: CMD: min -45.702 9.25049 2.06339 0.55 protocols.relax.FastRelax: MRP: 1 -45.702 -45.702 9.25049 2.06339 protocols.relax.FastRelax: CMD: accept_to_best -45.702 9.25049 2.06339 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.702 9.25049 2.06339 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.702 9.25049 2.06339 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.3296 9.25049 2.06339 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.1472 9.25049 2.06339 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9764 9.25049 2.06339 0.02805 protocols.relax.FastRelax: CMD: min -81.0508 9.49197 2.14946 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.0508 9.49197 2.14946 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -37.846 9.49197 2.14946 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.3797 9.49197 2.14946 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8528 9.49197 2.14946 0.154 protocols.relax.FastRelax: CMD: min -64.1248 9.38442 2.05686 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.1248 9.38442 2.05686 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -49.4516 9.38442 2.05686 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.8862 9.38442 2.05686 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7706 9.38442 2.05686 0.31955 protocols.relax.FastRelax: CMD: min -55.0534 9.35981 1.97782 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -55.0534 9.35981 1.97782 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9209 9.35981 1.97782 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.3633 9.35981 1.97782 0.55 protocols.relax.FastRelax: CMD: min -53.0814 9.35525 2.0522 0.55 protocols.relax.FastRelax: MRP: 2 -53.0814 -53.0814 9.35525 2.0522 protocols.relax.FastRelax: CMD: accept_to_best -53.0814 9.35525 2.0522 0.55 protocols.relax.FastRelax: CMD: endrepeat -53.0814 9.35525 2.0522 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -53.0814 9.35525 2.0522 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -70.4604 9.35525 2.0522 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 520 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.4244 9.35525 2.0522 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -71.178 9.35525 2.0522 0.02805 protocols.relax.FastRelax: CMD: min -88.3091 9.28602 2.27632 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.3091 9.28602 2.27632 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.146 9.28602 2.27632 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.5746 9.28602 2.27632 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -47.0251 9.28602 2.27632 0.154 protocols.relax.FastRelax: CMD: min -69.4681 9.31844 2.18123 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4681 9.31844 2.18123 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5616 9.31844 2.18123 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.3915 9.31844 2.18123 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.3 9.31844 2.18123 0.31955 protocols.relax.FastRelax: CMD: min -59.5054 9.32299 2.13723 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.5054 9.32299 2.13723 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.0897 9.32299 2.13723 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.2167 9.32299 2.13723 0.55 protocols.relax.FastRelax: CMD: min -53.3696 9.27397 2.22624 0.55 protocols.relax.FastRelax: MRP: 3 -53.3696 -53.3696 9.27397 2.22624 protocols.relax.FastRelax: CMD: accept_to_best -53.3696 9.27397 2.22624 0.55 protocols.relax.FastRelax: CMD: endrepeat -53.3696 9.27397 2.22624 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -53.3696 9.27397 2.22624 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.955 9.27397 2.22624 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.8036 9.27397 2.22624 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7737 9.27397 2.22624 0.02805 protocols.relax.FastRelax: CMD: min -93.0601 9.22728 2.42921 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.0601 9.22728 2.42921 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.1429 9.22728 2.42921 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 577 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8341 9.22728 2.42921 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.4489 9.22728 2.42921 0.154 protocols.relax.FastRelax: CMD: min -74.7355 9.23672 2.37073 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7355 9.23672 2.37073 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.112 9.23672 2.37073 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 554 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.3899 9.23672 2.37073 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.3045 9.23672 2.37073 0.31955 protocols.relax.FastRelax: CMD: min -63.3966 9.20659 2.32667 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3966 9.20659 2.32667 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.733 9.20659 2.32667 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 546 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.0158 9.20659 2.32667 0.55 protocols.relax.FastRelax: CMD: min -56.8459 9.13035 2.35779 0.55 protocols.relax.FastRelax: MRP: 4 -56.8459 -56.8459 9.13035 2.35779 protocols.relax.FastRelax: CMD: accept_to_best -56.8459 9.13035 2.35779 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.8459 9.13035 2.35779 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_46.pdb protocols.relax.FastRelax: CMD: repeat 14886.5 10.6303 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14886.5 10.6303 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1789.8 10.6303 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.1616 10.6303 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4551 10.6303 0 0.02805 protocols.relax.FastRelax: CMD: min -77.5675 10.9382 1.35745 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5675 10.9382 1.35745 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.0485 10.9382 1.35745 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 497 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.0323 10.9382 1.35745 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7816 10.9382 1.35745 0.154 protocols.relax.FastRelax: CMD: min -63.0891 10.9182 1.22246 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -63.0891 10.9182 1.22246 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0921 10.9182 1.22246 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.2588 10.9182 1.22246 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.4027 10.9182 1.22246 0.31955 protocols.relax.FastRelax: CMD: min -51.8622 10.9254 1.24333 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.8622 10.9254 1.24333 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.6701 10.9254 1.24333 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.6774 10.9254 1.24333 0.55 protocols.relax.FastRelax: CMD: min -56.8542 10.8539 0.975902 0.55 protocols.relax.FastRelax: MRP: 0 -56.8542 -56.8542 10.8539 0.975902 protocols.relax.FastRelax: CMD: accept_to_best -56.8542 10.8539 0.975902 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.8542 10.8539 0.975902 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.8542 10.8539 0.975902 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.4112 10.8539 0.975902 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.5937 10.8539 0.975902 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2459 10.8539 0.975902 0.02805 protocols.relax.FastRelax: CMD: min -84.9033 10.9071 1.19056 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.9033 10.9071 1.19056 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5287 10.9071 1.19056 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.6939 10.9071 1.19056 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3211 10.9071 1.19056 0.154 protocols.relax.FastRelax: CMD: min -75.1716 10.8809 1.1635 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.1716 10.8809 1.1635 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1173 10.8809 1.1635 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.6324 10.8809 1.1635 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.777 10.8809 1.1635 0.31955 protocols.relax.FastRelax: CMD: min -66.4575 10.8943 1.13323 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.4575 10.8943 1.13323 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.7045 10.8943 1.13323 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7049 10.8943 1.13323 0.55 protocols.relax.FastRelax: CMD: min -61.0676 10.9354 1.12684 0.55 protocols.relax.FastRelax: MRP: 1 -61.0676 -61.0676 10.9354 1.12684 protocols.relax.FastRelax: CMD: accept_to_best -61.0676 10.9354 1.12684 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.0676 10.9354 1.12684 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.0676 10.9354 1.12684 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8176 10.9354 1.12684 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 560 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.53 10.9354 1.12684 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8479 10.9354 1.12684 0.02805 protocols.relax.FastRelax: CMD: min -82.2902 10.9404 1.10687 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2902 10.9404 1.10687 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6179 10.9404 1.10687 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.2291 10.9404 1.10687 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7517 10.9404 1.10687 0.154 protocols.relax.FastRelax: CMD: min -78.3756 10.94 1.21462 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.3756 10.94 1.21462 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5711 10.94 1.21462 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.5853 10.94 1.21462 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8135 10.94 1.21462 0.31955 protocols.relax.FastRelax: CMD: min -69.3351 10.9333 1.18901 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3351 10.9333 1.18901 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.9165 10.9333 1.18901 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.9165 10.9333 1.18901 0.55 protocols.relax.FastRelax: CMD: min -61.0918 10.9376 1.12712 0.55 protocols.relax.FastRelax: MRP: 2 -61.0918 -61.0918 10.9376 1.12712 protocols.relax.FastRelax: CMD: accept_to_best -61.0918 10.9376 1.12712 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.0918 10.9376 1.12712 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.0918 10.9376 1.12712 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.8174 10.9376 1.12712 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.516 10.9376 1.12712 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8308 10.9376 1.12712 0.02805 protocols.relax.FastRelax: CMD: min -82.2852 10.9422 1.10625 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2852 10.9422 1.10625 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.6263 10.9422 1.10625 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.1792 10.9422 1.10625 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6992 10.9422 1.10625 0.154 protocols.relax.FastRelax: CMD: min -78.3382 10.9407 1.21127 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.3382 10.9407 1.21127 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5969 10.9407 1.21127 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.6112 10.9407 1.21127 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8444 10.9407 1.21127 0.31955 protocols.relax.FastRelax: CMD: min -69.2247 10.9308 1.19329 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.2247 10.9308 1.19329 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.6673 10.9308 1.19329 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.6673 10.9308 1.19329 0.55 protocols.relax.FastRelax: CMD: min -61.0943 10.9371 1.12879 0.55 protocols.relax.FastRelax: MRP: 3 -61.0943 -61.0943 10.9371 1.12879 protocols.relax.FastRelax: CMD: accept_to_best -61.0943 10.9371 1.12879 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.0943 10.9371 1.12879 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.0943 10.9371 1.12879 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7993 10.9371 1.12879 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.4764 10.9371 1.12879 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7856 10.9371 1.12879 0.02805 protocols.relax.FastRelax: CMD: min -82.2372 10.9417 1.10805 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2372 10.9417 1.10805 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.4623 10.9417 1.10805 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 531 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.1729 10.9417 1.10805 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6941 10.9417 1.10805 0.154 protocols.relax.FastRelax: CMD: min -78.327 10.9406 1.21181 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.327 10.9406 1.21181 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -68.6035 10.9406 1.21181 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.6176 10.9406 1.21181 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.8521 10.9406 1.21181 0.31955 protocols.relax.FastRelax: CMD: min -69.3579 10.9326 1.18355 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3579 10.9326 1.18355 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1848 10.9326 1.18355 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 470 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.186 10.9326 1.18355 0.55 protocols.relax.FastRelax: CMD: min -61.0937 10.9369 1.13018 0.55 protocols.relax.FastRelax: MRP: 4 -61.0937 -61.0943 10.9371 1.12879 protocols.relax.FastRelax: CMD: accept_to_best -61.0937 10.9369 1.13018 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.0937 10.9369 1.13018 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_2.pdb protocols.relax.FastRelax: CMD: repeat 19195.3 8.69164 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 19195.3 8.69164 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1894.52 8.69164 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.2681 8.69164 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -28.6723 8.69164 0 0.02805 protocols.relax.FastRelax: CMD: min -108.011 9.37497 1.90948 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -108.011 9.37497 1.90948 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.1904 9.37497 1.90948 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.835 9.37497 1.90948 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.4087 9.37497 1.90948 0.154 protocols.relax.FastRelax: CMD: min -89.9573 9.38538 1.98372 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.9573 9.38538 1.98372 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -72.5702 9.38538 1.98372 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 515 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.2242 9.38538 1.98372 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9323 9.38538 1.98372 0.31955 protocols.relax.FastRelax: CMD: min -86.2929 9.39979 1.88133 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -86.2929 9.39979 1.88133 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7046 9.39979 1.88133 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7335 9.39979 1.88133 0.55 protocols.relax.FastRelax: CMD: min -86.7067 9.2897 1.92867 0.55 protocols.relax.FastRelax: MRP: 0 -86.7067 -86.7067 9.2897 1.92867 protocols.relax.FastRelax: CMD: accept_to_best -86.7067 9.2897 1.92867 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.7067 9.2897 1.92867 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.7067 9.2897 1.92867 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.945 9.2897 1.92867 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 524 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.764 9.2897 1.92867 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.374 9.2897 1.92867 0.02805 protocols.relax.FastRelax: CMD: min -125.353 9.38737 2.29287 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.353 9.38737 2.29287 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -88.2938 9.38737 2.29287 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 535 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.5039 9.38737 2.29287 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -89.2163 9.38737 2.29287 0.154 protocols.relax.FastRelax: CMD: min -105.65 9.32697 2.17131 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -105.65 9.32697 2.17131 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -91.8957 9.32697 2.17131 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.8971 9.32697 2.17131 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -90.8126 9.32697 2.17131 0.31955 protocols.relax.FastRelax: CMD: min -94.3913 9.36586 2.15206 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -94.3913 9.36586 2.15206 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9069 9.36586 2.15206 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.9081 9.36586 2.15206 0.55 protocols.relax.FastRelax: CMD: min -86.7031 9.29053 1.93319 0.55 protocols.relax.FastRelax: MRP: 1 -86.7031 -86.7067 9.2897 1.92867 protocols.relax.FastRelax: CMD: accept_to_best -86.7031 9.29053 1.93319 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.7031 9.29053 1.93319 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.7031 9.29053 1.93319 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.938 9.29053 1.93319 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.749 9.29053 1.93319 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.355 9.29053 1.93319 0.02805 protocols.relax.FastRelax: CMD: min -125.273 9.37479 2.28984 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -125.273 9.37479 2.28984 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -88.3005 9.37479 2.28984 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 537 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.1143 9.37479 2.28984 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -89.8741 9.37479 2.28984 0.154 protocols.relax.FastRelax: CMD: min -106.323 9.33561 2.18842 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.323 9.33561 2.18842 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.9588 9.33561 2.18842 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.9592 9.33561 2.18842 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -91.9056 9.33561 2.18842 0.31955 protocols.relax.FastRelax: CMD: min -93.8692 9.33108 2.15221 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -93.8692 9.33108 2.15221 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -77.5881 9.33108 2.15221 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.8741 9.33108 2.15221 0.55 protocols.relax.FastRelax: CMD: min -86.705 9.29235 1.93605 0.55 protocols.relax.FastRelax: MRP: 2 -86.705 -86.7067 9.2897 1.92867 protocols.relax.FastRelax: CMD: accept_to_best -86.705 9.29235 1.93605 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.705 9.29235 1.93605 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.705 9.29235 1.93605 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.958 9.29235 1.93605 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.772 9.29235 1.93605 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.379 9.29235 1.93605 0.02805 protocols.relax.FastRelax: CMD: min -124.759 9.35671 2.27522 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -124.759 9.35671 2.27522 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -88.0514 9.35671 2.27522 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 541 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.3875 9.35671 2.27522 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -91.252 9.35671 2.27522 0.154 protocols.relax.FastRelax: CMD: min -106.72 9.34045 2.19552 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -106.72 9.34045 2.19552 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -92.9467 9.34045 2.19552 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.9478 9.34045 2.19552 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -91.8619 9.34045 2.19552 0.31955 protocols.relax.FastRelax: CMD: min -95.1638 9.33587 2.09087 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -95.1638 9.33587 2.09087 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2941 9.33587 2.09087 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.2951 9.33587 2.09087 0.55 protocols.relax.FastRelax: CMD: min -86.7089 9.29084 1.93875 0.55 protocols.relax.FastRelax: MRP: 3 -86.7089 -86.7089 9.29084 1.93875 protocols.relax.FastRelax: CMD: accept_to_best -86.7089 9.29084 1.93875 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.7089 9.29084 1.93875 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -86.7089 9.29084 1.93875 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -105.934 9.29084 1.93875 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.764 9.29084 1.93875 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -107.372 9.29084 1.93875 0.02805 protocols.relax.FastRelax: CMD: min -124.38 9.34867 2.29753 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -124.38 9.34867 2.29753 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -82.2901 9.34867 2.29753 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.1536 9.34867 2.29753 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -87.0111 9.34867 2.29753 0.154 protocols.relax.FastRelax: CMD: min -104.829 9.38702 2.33868 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -104.829 9.38702 2.33868 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.5311 9.38702 2.33868 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.6163 9.38702 2.33868 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -89.5119 9.38702 2.33868 0.31955 protocols.relax.FastRelax: CMD: min -92.1072 9.39075 2.27167 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -92.1072 9.39075 2.27167 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -78.1642 9.39075 2.27167 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -78.609 9.39075 2.27167 0.55 protocols.relax.FastRelax: CMD: min -86.7609 9.39693 2.22057 0.55 protocols.relax.FastRelax: MRP: 4 -86.7609 -86.7609 9.39693 2.22057 protocols.relax.FastRelax: CMD: accept_to_best -86.7609 9.39693 2.22057 0.55 protocols.relax.FastRelax: CMD: endrepeat -86.7609 9.39693 2.22057 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_15.pdb protocols.relax.FastRelax: CMD: repeat 17820.5 9.26744 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 17820.5 9.26744 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1724.67 9.26744 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 684 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 27.0482 9.26744 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 53.3655 9.26744 0 0.02805 protocols.relax.FastRelax: CMD: min -65.437 9.30219 1.02355 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -65.437 9.30219 1.02355 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -19.2846 9.30219 1.02355 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.1527 9.30219 1.02355 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.7205 9.30219 1.02355 0.154 protocols.relax.FastRelax: CMD: min -43.2396 9.43104 1.23246 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -43.2396 9.43104 1.23246 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -27.523 9.43104 1.23246 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.294 9.43104 1.23246 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -27.0456 9.43104 1.23246 0.31955 protocols.relax.FastRelax: CMD: min -34.5085 9.47129 1.23597 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -34.5085 9.47129 1.23597 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -20.2165 9.47129 1.23597 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 513 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -20.6104 9.47129 1.23597 0.55 protocols.relax.FastRelax: CMD: min -49.4849 9.28337 1.36833 0.55 protocols.relax.FastRelax: MRP: 0 -49.4849 -49.4849 9.28337 1.36833 protocols.relax.FastRelax: CMD: accept_to_best -49.4849 9.28337 1.36833 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.4849 9.28337 1.36833 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.4849 9.28337 1.36833 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -68.0779 9.28337 1.36833 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.7484 9.28337 1.36833 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8958 9.28337 1.36833 0.02805 protocols.relax.FastRelax: CMD: min -84.7374 9.14424 1.26692 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -84.7374 9.14424 1.26692 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5182 9.14424 1.26692 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.4511 9.14424 1.26692 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.046 9.14424 1.26692 0.154 protocols.relax.FastRelax: CMD: min -70.6307 9.18101 1.27735 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.6307 9.18101 1.27735 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.3771 9.18101 1.27735 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.3813 9.18101 1.27735 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.4169 9.18101 1.27735 0.31955 protocols.relax.FastRelax: CMD: min -58.9605 9.14385 1.31785 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -58.9605 9.14385 1.31785 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.1591 9.14385 1.31785 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -44.1592 9.14385 1.31785 0.55 protocols.relax.FastRelax: CMD: min -54.4252 9.16521 1.3853 0.55 protocols.relax.FastRelax: MRP: 1 -54.4252 -54.4252 9.16521 1.3853 protocols.relax.FastRelax: CMD: accept_to_best -54.4252 9.16521 1.3853 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.4252 9.16521 1.3853 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.4252 9.16521 1.3853 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7182 9.16521 1.3853 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.5694 9.16521 1.3853 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -74.6364 9.16521 1.3853 0.02805 protocols.relax.FastRelax: CMD: min -87.8081 9.06838 1.29572 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.8081 9.06838 1.29572 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -47.4294 9.06838 1.29572 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.6497 9.06838 1.29572 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.6187 9.06838 1.29572 0.154 protocols.relax.FastRelax: CMD: min -72.3137 9.07584 1.30322 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.3137 9.07584 1.30322 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.8792 9.07584 1.30322 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.909 9.07584 1.30322 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9309 9.07584 1.30322 0.31955 protocols.relax.FastRelax: CMD: min -61.0801 9.05598 1.34831 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.0801 9.05598 1.34831 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.706 9.05598 1.34831 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 451 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.706 9.05598 1.34831 0.55 protocols.relax.FastRelax: CMD: min -57.5989 9.16179 1.42072 0.55 protocols.relax.FastRelax: MRP: 2 -57.5989 -57.5989 9.16179 1.42072 protocols.relax.FastRelax: CMD: accept_to_best -57.5989 9.16179 1.42072 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.5989 9.16179 1.42072 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.5989 9.16179 1.42072 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.7893 9.16179 1.42072 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.961 9.16179 1.42072 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0549 9.16179 1.42072 0.02805 protocols.relax.FastRelax: CMD: min -95.4297 9.08338 1.31422 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.4297 9.08338 1.31422 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5279 9.08338 1.31422 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.7216 9.08338 1.31422 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -59.6139 9.08338 1.31422 0.154 protocols.relax.FastRelax: CMD: min -76.444 9.08957 1.30927 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.444 9.08957 1.30927 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.7707 9.08957 1.30927 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 467 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.7744 9.08957 1.30927 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.6965 9.08957 1.30927 0.31955 protocols.relax.FastRelax: CMD: min -63.9174 9.05183 1.34348 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.9174 9.05183 1.34348 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.9172 9.05183 1.34348 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.9253 9.05183 1.34348 0.55 protocols.relax.FastRelax: CMD: min -58.8467 9.14633 1.421 0.55 protocols.relax.FastRelax: MRP: 3 -58.8467 -58.8467 9.14633 1.421 protocols.relax.FastRelax: CMD: accept_to_best -58.8467 9.14633 1.421 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.8467 9.14633 1.421 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.8467 9.14633 1.421 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3865 9.14633 1.421 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.3542 9.14633 1.421 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.4063 9.14633 1.421 0.02805 protocols.relax.FastRelax: CMD: min -95.8056 9.17741 1.38419 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.8056 9.17741 1.38419 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9616 9.17741 1.38419 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.3302 9.17741 1.38419 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2257 9.17741 1.38419 0.154 protocols.relax.FastRelax: CMD: min -78.5353 9.11997 1.34258 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.5353 9.11997 1.34258 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9742 9.11997 1.34258 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.981 9.11997 1.34258 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.992 9.11997 1.34258 0.31955 protocols.relax.FastRelax: CMD: min -65.9278 9.08938 1.36261 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9278 9.08938 1.36261 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6881 9.08938 1.36261 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -48.6766 9.08938 1.36261 0.55 protocols.relax.FastRelax: CMD: min -59.5249 9.09972 1.36566 0.55 protocols.relax.FastRelax: MRP: 4 -59.5249 -59.5249 9.09972 1.36566 protocols.relax.FastRelax: CMD: accept_to_best -59.5249 9.09972 1.36566 0.55 protocols.relax.FastRelax: CMD: endrepeat -59.5249 9.09972 1.36566 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_18.pdb protocols.relax.FastRelax: CMD: repeat 15900.8 6.87446 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15900.8 6.87446 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1668.63 6.87446 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 758 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -17.1485 6.87446 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -9.79465 6.87446 0 0.02805 protocols.relax.FastRelax: CMD: min -72.6105 7.08886 1.26231 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -72.6105 7.08886 1.26231 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -24.6706 7.08886 1.26231 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 696 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.517 7.08886 1.26231 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -27.4505 7.08886 1.26231 0.154 protocols.relax.FastRelax: CMD: min -57.2965 7.05439 1.11682 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -57.2965 7.05439 1.11682 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -41.3414 7.05439 1.11682 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 641 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -41.6104 7.05439 1.11682 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -40.3697 7.05439 1.11682 0.31955 protocols.relax.FastRelax: CMD: min -43.4341 7.02344 1.07479 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.4341 7.02344 1.07479 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -26.0396 7.02344 1.07479 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 617 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.9169 7.02344 1.07479 0.55 protocols.relax.FastRelax: CMD: min -54.5715 7.02513 1.49657 0.55 protocols.relax.FastRelax: MRP: 0 -54.5715 -54.5715 7.02513 1.49657 protocols.relax.FastRelax: CMD: accept_to_best -54.5715 7.02513 1.49657 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.5715 7.02513 1.49657 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.5715 7.02513 1.49657 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.1107 7.02513 1.49657 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 731 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.7835 7.02513 1.49657 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -79.7458 7.02513 1.49657 0.02805 protocols.relax.FastRelax: CMD: min -88.4514 7.15589 1.6688 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.4514 7.15589 1.6688 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -39.9181 7.15589 1.6688 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 667 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.4765 7.15589 1.6688 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8902 7.15589 1.6688 0.154 protocols.relax.FastRelax: CMD: min -72.7954 7.08315 1.6156 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7954 7.08315 1.6156 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.3685 7.08315 1.6156 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 633 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.9958 7.08315 1.6156 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.1269 7.08315 1.6156 0.31955 protocols.relax.FastRelax: CMD: min -63.7467 7.07244 1.59679 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7467 7.07244 1.59679 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.879 7.07244 1.59679 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 619 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.8886 7.07244 1.59679 0.55 protocols.relax.FastRelax: CMD: min -56.3079 7.05182 1.58112 0.55 protocols.relax.FastRelax: MRP: 1 -56.3079 -56.3079 7.05182 1.58112 protocols.relax.FastRelax: CMD: accept_to_best -56.3079 7.05182 1.58112 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.3079 7.05182 1.58112 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.3079 7.05182 1.58112 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.6438 7.05182 1.58112 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 740 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.9557 7.05182 1.58112 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.1071 7.05182 1.58112 0.02805 protocols.relax.FastRelax: CMD: min -97.6827 7.09009 1.73351 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -97.6827 7.09009 1.73351 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.512 7.09009 1.73351 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 642 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.6176 7.09009 1.73351 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2645 7.09009 1.73351 0.154 protocols.relax.FastRelax: CMD: min -76.9907 7.08898 1.66319 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.9907 7.08898 1.66319 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1439 7.08898 1.66319 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 630 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.7088 7.08898 1.66319 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5751 7.08898 1.66319 0.31955 protocols.relax.FastRelax: CMD: min -65.4688 7.0654 1.64651 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.4688 7.0654 1.64651 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.6457 7.0654 1.64651 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 608 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.2684 7.0654 1.64651 0.55 protocols.relax.FastRelax: CMD: min -56.983 7.15602 1.62761 0.55 protocols.relax.FastRelax: MRP: 2 -56.983 -56.983 7.15602 1.62761 protocols.relax.FastRelax: CMD: accept_to_best -56.983 7.15602 1.62761 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.983 7.15602 1.62761 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.983 7.15602 1.62761 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.9324 7.15602 1.62761 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 741 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.2565 7.15602 1.62761 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.6804 7.15602 1.62761 0.02805 protocols.relax.FastRelax: CMD: min -87.1243 7.25062 1.64906 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.1243 7.25062 1.64906 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -49.6982 7.25062 1.64906 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 672 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.3296 7.25062 1.64906 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -71.4463 7.25062 1.64906 0.154 protocols.relax.FastRelax: CMD: min -75.4903 7.22245 1.65895 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.4903 7.22245 1.65895 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5632 7.22245 1.65895 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 646 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.332 7.22245 1.65895 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5504 7.22245 1.65895 0.31955 protocols.relax.FastRelax: CMD: min -66.6821 7.17682 1.66284 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.6821 7.17682 1.66284 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.4257 7.17682 1.66284 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.4363 7.17682 1.66284 0.55 protocols.relax.FastRelax: CMD: min -57.1298 7.16255 1.64132 0.55 protocols.relax.FastRelax: MRP: 3 -57.1298 -57.1298 7.16255 1.64132 protocols.relax.FastRelax: CMD: accept_to_best -57.1298 7.16255 1.64132 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.1298 7.16255 1.64132 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.1298 7.16255 1.64132 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.1564 7.16255 1.64132 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 740 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.484 7.16255 1.64132 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.9191 7.16255 1.64132 0.02805 protocols.relax.FastRelax: CMD: min -95.5472 7.33587 1.76488 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -95.5472 7.33587 1.76488 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.4368 7.33587 1.76488 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 639 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.4419 7.33587 1.76488 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.2229 7.33587 1.76488 0.154 protocols.relax.FastRelax: CMD: min -75.1391 7.23615 1.67618 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -75.1391 7.23615 1.67618 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -59.1647 7.23615 1.67618 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.2314 7.23615 1.67618 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.9865 7.23615 1.67618 0.31955 protocols.relax.FastRelax: CMD: min -65.7473 7.23566 1.66255 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.7473 7.23566 1.66255 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.9056 7.23566 1.66255 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.5535 7.23566 1.66255 0.55 protocols.relax.FastRelax: CMD: min -57.0573 7.16659 1.63723 0.55 protocols.relax.FastRelax: MRP: 4 -57.0573 -57.1298 7.16255 1.64132 protocols.relax.FastRelax: CMD: accept_to_best -57.0573 7.16659 1.63723 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.0573 7.16659 1.63723 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_17.pdb protocols.relax.FastRelax: CMD: repeat 10498.1 6.54017 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 10498.1 6.54017 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1567.13 6.54017 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 635 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2.13848 6.54017 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 4.70637 6.54017 0 0.02805 protocols.relax.FastRelax: CMD: min -67.1942 7.60789 1.72563 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.1942 7.60789 1.72563 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -12.8441 7.60789 1.72563 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.4559 7.60789 1.72563 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -24.7999 7.60789 1.72563 0.154 protocols.relax.FastRelax: CMD: min -60.3899 7.66557 1.76492 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.3899 7.66557 1.76492 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2484 7.66557 1.76492 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 614 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.6762 7.66557 1.76492 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.5682 7.66557 1.76492 0.31955 protocols.relax.FastRelax: CMD: min -48.9933 7.61415 1.6964 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.9933 7.61415 1.6964 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -34.9328 7.61415 1.6964 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 610 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.0979 7.61415 1.6964 0.55 protocols.relax.FastRelax: CMD: min -57.4145 7.42309 1.75827 0.55 protocols.relax.FastRelax: MRP: 0 -57.4145 -57.4145 7.42309 1.75827 protocols.relax.FastRelax: CMD: accept_to_best -57.4145 7.42309 1.75827 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.4145 7.42309 1.75827 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.4145 7.42309 1.75827 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.1509 7.42309 1.75827 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 578 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.324 7.42309 1.75827 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.8293 7.42309 1.75827 0.02805 protocols.relax.FastRelax: CMD: min -83.3279 7.54317 1.93594 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.3279 7.54317 1.93594 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -57.933 7.54317 1.93594 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.2766 7.54317 1.93594 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.1974 7.54317 1.93594 0.154 protocols.relax.FastRelax: CMD: min -72.5521 7.51396 1.8571 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.5521 7.51396 1.8571 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5216 7.51396 1.8571 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 620 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8696 7.51396 1.8571 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.0985 7.51396 1.8571 0.31955 protocols.relax.FastRelax: CMD: min -63.1548 7.49183 1.82839 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.1548 7.49183 1.82839 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.2354 7.49183 1.82839 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 550 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.3476 7.49183 1.82839 0.55 protocols.relax.FastRelax: CMD: min -57.679 7.40656 1.74179 0.55 protocols.relax.FastRelax: MRP: 1 -57.679 -57.679 7.40656 1.74179 protocols.relax.FastRelax: CMD: accept_to_best -57.679 7.40656 1.74179 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.679 7.40656 1.74179 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.679 7.40656 1.74179 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3462 7.40656 1.74179 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.5164 7.40656 1.74179 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0337 7.40656 1.74179 0.02805 protocols.relax.FastRelax: CMD: min -82.9245 7.51308 1.91569 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.9245 7.51308 1.91569 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -54.5431 7.51308 1.91569 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 618 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.7213 7.51308 1.91569 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.4655 7.51308 1.91569 0.154 protocols.relax.FastRelax: CMD: min -72.7737 7.50435 1.84807 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.7737 7.50435 1.84807 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.7828 7.50435 1.84807 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.0163 7.50435 1.84807 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.166 7.50435 1.84807 0.31955 protocols.relax.FastRelax: CMD: min -63.7864 7.41719 1.74224 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.7864 7.41719 1.74224 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.6335 7.41719 1.74224 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.7233 7.41719 1.74224 0.55 protocols.relax.FastRelax: CMD: min -57.8514 7.38458 1.72233 0.55 protocols.relax.FastRelax: MRP: 2 -57.8514 -57.8514 7.38458 1.72233 protocols.relax.FastRelax: CMD: accept_to_best -57.8514 7.38458 1.72233 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8514 7.38458 1.72233 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8514 7.38458 1.72233 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3776 7.38458 1.72233 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.5685 7.38458 1.72233 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0968 7.38458 1.72233 0.02805 protocols.relax.FastRelax: CMD: min -82.4498 7.48879 1.90081 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.4498 7.48879 1.90081 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.9892 7.48879 1.90081 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 611 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.3837 7.48879 1.90081 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2054 7.48879 1.90081 0.154 protocols.relax.FastRelax: CMD: min -68.2842 7.40873 1.77868 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.2842 7.40873 1.77868 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2213 7.40873 1.77868 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 602 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.7844 7.40873 1.77868 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.8655 7.40873 1.77868 0.31955 protocols.relax.FastRelax: CMD: min -63.3822 7.41549 1.73927 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.3822 7.41549 1.73927 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.5642 7.41549 1.73927 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.9789 7.41549 1.73927 0.55 protocols.relax.FastRelax: CMD: min -57.8504 7.38724 1.72287 0.55 protocols.relax.FastRelax: MRP: 3 -57.8504 -57.8514 7.38458 1.72233 protocols.relax.FastRelax: CMD: accept_to_best -57.8504 7.38724 1.72287 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8504 7.38724 1.72287 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8504 7.38724 1.72287 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3835 7.38724 1.72287 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 580 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.4472 7.38724 1.72287 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.0996 7.38724 1.72287 0.02805 protocols.relax.FastRelax: CMD: min -82.4626 7.49147 1.90139 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -82.4626 7.49147 1.90139 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.1104 7.49147 1.90139 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.734 7.49147 1.90139 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5677 7.49147 1.90139 0.154 protocols.relax.FastRelax: CMD: min -68.5217 7.40865 1.77339 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.5217 7.40865 1.77339 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.6786 7.40865 1.77339 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 613 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3228 7.40865 1.77339 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4248 7.40865 1.77339 0.31955 protocols.relax.FastRelax: CMD: min -62.9033 7.39425 1.72647 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.9033 7.39425 1.72647 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.7451 7.39425 1.72647 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.1946 7.39425 1.72647 0.55 protocols.relax.FastRelax: CMD: min -57.8526 7.38644 1.72325 0.55 protocols.relax.FastRelax: MRP: 4 -57.8526 -57.8526 7.38644 1.72325 protocols.relax.FastRelax: CMD: accept_to_best -57.8526 7.38644 1.72325 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8526 7.38644 1.72325 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_43.pdb protocols.relax.FastRelax: CMD: repeat 15201.8 10.33 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15201.8 10.33 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1715.23 10.33 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 635 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.5106 10.33 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -11.3725 10.33 0 0.02805 protocols.relax.FastRelax: CMD: min -63.35 10.3605 1.71337 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -63.35 10.3605 1.71337 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -16.6477 10.3605 1.71337 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 685 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.2519 10.3605 1.71337 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -21.8848 10.3605 1.71337 0.154 protocols.relax.FastRelax: CMD: min -49.8606 10.4711 1.70354 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -49.8606 10.4711 1.70354 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -36.6449 10.4711 1.70354 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 617 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.9341 10.4711 1.70354 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -35.9 10.4711 1.70354 0.31955 protocols.relax.FastRelax: CMD: min -40.2893 10.4954 1.6398 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -40.2893 10.4954 1.6398 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -28.7793 10.4954 1.6398 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 581 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -28.7826 10.4954 1.6398 0.55 protocols.relax.FastRelax: CMD: min -45.7074 10.4184 2.39394 0.55 protocols.relax.FastRelax: MRP: 0 -45.7074 -45.7074 10.4184 2.39394 protocols.relax.FastRelax: CMD: accept_to_best -45.7074 10.4184 2.39394 0.55 protocols.relax.FastRelax: CMD: endrepeat -45.7074 10.4184 2.39394 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -45.7074 10.4184 2.39394 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8133 10.4184 2.39394 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 661 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.7099 10.4184 2.39394 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8305 10.4184 2.39394 0.02805 protocols.relax.FastRelax: CMD: min -81.4973 10.3661 2.39516 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.4973 10.3661 2.39516 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -36.775 10.3661 2.39516 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 630 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.6424 10.3661 2.39516 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -40.6242 10.3661 2.39516 0.154 protocols.relax.FastRelax: CMD: min -58.1271 10.4232 2.3891 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -58.1271 10.4232 2.3891 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.6018 10.4232 2.3891 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 621 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.8868 10.4232 2.3891 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -46.8746 10.4232 2.3891 0.31955 protocols.relax.FastRelax: CMD: min -51.9539 10.4722 2.25858 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.9539 10.4722 2.25858 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -41.1402 10.4722 2.25858 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 575 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.0022 10.4722 2.25858 0.55 protocols.relax.FastRelax: CMD: min -55.88 11.1636 2.93185 0.55 protocols.relax.FastRelax: MRP: 1 -55.88 -55.88 11.1636 2.93185 protocols.relax.FastRelax: CMD: accept_to_best -55.88 11.1636 2.93185 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.88 11.1636 2.93185 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.88 11.1636 2.93185 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -71.4264 11.1636 2.93185 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 653 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.3511 11.1636 2.93185 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.0858 11.1636 2.93185 0.02805 protocols.relax.FastRelax: CMD: min -87.6115 11.0311 3.33668 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.6115 11.0311 3.33668 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4008 11.0311 3.33668 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 653 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.8487 11.0311 3.33668 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.3046 11.0311 3.33668 0.154 protocols.relax.FastRelax: CMD: min -73.4782 11.0335 3.34285 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4782 11.0335 3.34285 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.4035 11.0335 3.34285 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 619 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.7778 11.0335 3.34285 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.8649 11.0335 3.34285 0.31955 protocols.relax.FastRelax: CMD: min -64.3601 11.0865 3.27827 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.3601 11.0865 3.27827 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4759 11.0865 3.27827 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 586 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.8476 11.0865 3.27827 0.55 protocols.relax.FastRelax: CMD: min -65.2091 11.0937 3.5146 0.55 protocols.relax.FastRelax: MRP: 2 -65.2091 -65.2091 11.0937 3.5146 protocols.relax.FastRelax: CMD: accept_to_best -65.2091 11.0937 3.5146 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.2091 11.0937 3.5146 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.2091 11.0937 3.5146 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1244 11.0937 3.5146 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 718 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.3463 11.0937 3.5146 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.4138 11.0937 3.5146 0.02805 protocols.relax.FastRelax: CMD: min -94.5863 10.8792 3.69167 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.5863 10.8792 3.69167 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5737 10.8792 3.69167 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 697 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.0204 10.8792 3.69167 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6 10.8792 3.69167 0.154 protocols.relax.FastRelax: CMD: min -78.4357 10.987 3.64447 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -78.4357 10.987 3.64447 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.4393 10.987 3.64447 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 661 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.601 10.987 3.64447 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.7857 10.987 3.64447 0.31955 protocols.relax.FastRelax: CMD: min -70.9855 11.058 3.57674 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.9855 11.058 3.57674 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2611 11.058 3.57674 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 593 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.2626 11.058 3.57674 0.55 protocols.relax.FastRelax: CMD: min -65.2224 11.094 3.51449 0.55 protocols.relax.FastRelax: MRP: 3 -65.2224 -65.2224 11.094 3.51449 protocols.relax.FastRelax: CMD: accept_to_best -65.2224 11.094 3.51449 0.55 protocols.relax.FastRelax: CMD: endrepeat -65.2224 11.094 3.51449 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -65.2224 11.094 3.51449 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1536 11.094 3.51449 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 718 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -85.175 11.094 3.51449 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -84.3543 11.094 3.51449 0.02805 protocols.relax.FastRelax: CMD: min -96.4045 10.8132 3.77841 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.4045 10.8132 3.77841 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.1564 10.8132 3.77841 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 628 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.8586 10.8132 3.77841 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.274 10.8132 3.77841 0.154 protocols.relax.FastRelax: CMD: min -73.9858 10.9677 3.61984 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.9858 10.9677 3.61984 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.9762 10.9677 3.61984 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 626 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.4565 10.9677 3.61984 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5748 10.9677 3.61984 0.31955 protocols.relax.FastRelax: CMD: min -67.232 11.033 3.60821 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.232 11.033 3.60821 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.1884 11.033 3.60821 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 586 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.2698 11.033 3.60821 0.55 protocols.relax.FastRelax: CMD: min -66.7548 11.0267 3.67679 0.55 protocols.relax.FastRelax: MRP: 4 -66.7548 -66.7548 11.0267 3.67679 protocols.relax.FastRelax: CMD: accept_to_best -66.7548 11.0267 3.67679 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.7548 11.0267 3.67679 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_21.pdb protocols.relax.FastRelax: CMD: repeat 15437.9 10.6691 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15437.9 10.6691 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1696.25 10.6691 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.1831 10.6691 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -16.1334 10.6691 0 0.02805 protocols.relax.FastRelax: CMD: min -59.7059 11.1791 1.19385 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -59.7059 11.1791 1.19385 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -18.6716 11.1791 1.19385 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 568 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -24.8886 11.1791 1.19385 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.6626 11.1791 1.19385 0.154 protocols.relax.FastRelax: CMD: min -56.2761 11.0156 1.48947 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -56.2761 11.0156 1.48947 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -43.9747 11.0156 1.48947 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.4161 11.0156 1.48947 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -44.4542 11.0156 1.48947 0.31955 protocols.relax.FastRelax: CMD: min -48.3699 11.0081 1.4611 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -48.3699 11.0081 1.4611 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -36.1475 11.0081 1.4611 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -36.4465 11.0081 1.4611 0.55 protocols.relax.FastRelax: CMD: min -51.9521 10.5853 2.06512 0.55 protocols.relax.FastRelax: MRP: 0 -51.9521 -51.9521 10.5853 2.06512 protocols.relax.FastRelax: CMD: accept_to_best -51.9521 10.5853 2.06512 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.9521 10.5853 2.06512 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.9521 10.5853 2.06512 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.0992 10.5853 2.06512 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.0317 10.5853 2.06512 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.9589 10.5853 2.06512 0.02805 protocols.relax.FastRelax: CMD: min -81.186 10.6173 2.04193 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.186 10.6173 2.04193 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.5152 10.6173 2.04193 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5584 10.6173 2.04193 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.7868 10.6173 2.04193 0.154 protocols.relax.FastRelax: CMD: min -68.967 10.5922 2.0588 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.967 10.5922 2.0588 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.9682 10.5922 2.0588 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 492 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.9683 10.5922 2.0588 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.4165 10.5922 2.0588 0.31955 protocols.relax.FastRelax: CMD: min -61.7691 10.5877 2.06876 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.7691 10.5877 2.06876 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.3475 10.5877 2.06876 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.3567 10.5877 2.06876 0.55 protocols.relax.FastRelax: CMD: min -55.3821 10.4969 2.08996 0.55 protocols.relax.FastRelax: MRP: 1 -55.3821 -55.3821 10.4969 2.08996 protocols.relax.FastRelax: CMD: accept_to_best -55.3821 10.4969 2.08996 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.3821 10.4969 2.08996 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.3821 10.4969 2.08996 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.9598 10.4969 2.08996 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 516 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.8813 10.4969 2.08996 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.9405 10.4969 2.08996 0.02805 protocols.relax.FastRelax: CMD: min -88.9533 10.5031 2.02815 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.9533 10.5031 2.02815 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.2871 10.5031 2.02815 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.467 10.5031 2.02815 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.0357 10.5031 2.02815 0.154 protocols.relax.FastRelax: CMD: min -74.8524 10.558 2.08148 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.8524 10.558 2.08148 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.7656 10.558 2.08148 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.9763 10.558 2.08148 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.1299 10.558 2.08148 0.31955 protocols.relax.FastRelax: CMD: min -65.9938 10.6011 2.12171 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.9938 10.6011 2.12171 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3374 10.6011 2.12171 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.3834 10.6011 2.12171 0.55 protocols.relax.FastRelax: CMD: min -60.2089 10.7476 2.08428 0.55 protocols.relax.FastRelax: MRP: 2 -60.2089 -60.2089 10.7476 2.08428 protocols.relax.FastRelax: CMD: accept_to_best -60.2089 10.7476 2.08428 0.55 protocols.relax.FastRelax: CMD: endrepeat -60.2089 10.7476 2.08428 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -60.2089 10.7476 2.08428 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3196 10.7476 2.08428 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 490 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.6697 10.7476 2.08428 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.3442 10.7476 2.08428 0.02805 protocols.relax.FastRelax: CMD: min -83.9584 10.7419 2.04385 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.9584 10.7419 2.04385 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -46.2845 10.7419 2.04385 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 479 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.5922 10.7419 2.04385 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5343 10.7419 2.04385 0.154 protocols.relax.FastRelax: CMD: min -72.062 10.66 1.95869 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.062 10.66 1.95869 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.8044 10.66 1.95869 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.812 10.66 1.95869 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.0841 10.66 1.95869 0.31955 protocols.relax.FastRelax: CMD: min -64.3918 10.6669 1.98923 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.3918 10.6669 1.98923 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.1017 10.6669 1.98923 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.107 10.6669 1.98923 0.55 protocols.relax.FastRelax: CMD: min -57.8764 10.6033 2.02524 0.55 protocols.relax.FastRelax: MRP: 3 -57.8764 -60.2089 10.7476 2.08428 protocols.relax.FastRelax: CMD: accept_to_best -57.8764 10.6033 2.02524 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8764 10.6033 2.02524 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.8764 10.6033 2.02524 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -76.0446 10.6033 2.02524 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 489 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.5136 10.6033 2.02524 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.761 10.6033 2.02524 0.02805 protocols.relax.FastRelax: CMD: min -87.8627 10.682 1.93577 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -87.8627 10.682 1.93577 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5851 10.682 1.93577 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.7421 10.682 1.93577 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7946 10.682 1.93577 0.154 protocols.relax.FastRelax: CMD: min -73.9082 10.6277 1.96089 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.9082 10.6277 1.96089 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2437 10.6277 1.96089 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.2499 10.6277 1.96089 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5701 10.6277 1.96089 0.31955 protocols.relax.FastRelax: CMD: min -64.9591 10.6211 1.97324 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.9591 10.6211 1.97324 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3707 10.6211 1.97324 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 473 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.3842 10.6211 1.97324 0.55 protocols.relax.FastRelax: CMD: min -57.8761 10.602 2.02886 0.55 protocols.relax.FastRelax: MRP: 4 -57.8761 -60.2089 10.7476 2.08428 protocols.relax.FastRelax: CMD: accept_to_best -57.8761 10.602 2.02886 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.8761 10.602 2.02886 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_31.pdb protocols.relax.FastRelax: CMD: repeat 15509.6 7.30233 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15509.6 7.30233 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1724.88 7.30233 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -13.2654 7.30233 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 0.731725 7.30233 0 0.02805 protocols.relax.FastRelax: CMD: min -81.3005 7.32908 1.05982 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.3005 7.32908 1.05982 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7823 7.32908 1.05982 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.7609 7.32908 1.05982 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -43.1896 7.32908 1.05982 0.154 protocols.relax.FastRelax: CMD: min -68.602 7.47682 1.4205 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.602 7.47682 1.4205 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3764 7.47682 1.4205 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 434 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7536 7.47682 1.4205 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -53.642 7.47682 1.4205 0.31955 protocols.relax.FastRelax: CMD: min -56.7967 7.44874 1.46485 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -56.7967 7.44874 1.46485 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -42.7688 7.44874 1.46485 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 430 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -42.8097 7.44874 1.46485 0.55 protocols.relax.FastRelax: CMD: min -66.8635 7.3044 1.96907 0.55 protocols.relax.FastRelax: MRP: 0 -66.8635 -66.8635 7.3044 1.96907 protocols.relax.FastRelax: CMD: accept_to_best -66.8635 7.3044 1.96907 0.55 protocols.relax.FastRelax: CMD: endrepeat -66.8635 7.3044 1.96907 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -66.8635 7.3044 1.96907 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.8366 7.3044 1.96907 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 475 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.4422 7.3044 1.96907 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -91.902 7.3044 1.96907 0.02805 protocols.relax.FastRelax: CMD: min -106.388 7.12659 2.12261 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.388 7.12659 2.12261 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.7662 7.12659 2.12261 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.7646 7.12659 2.12261 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.788 7.12659 2.12261 0.154 protocols.relax.FastRelax: CMD: min -86.4105 7.18996 1.99431 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -86.4105 7.18996 1.99431 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.4586 7.18996 1.99431 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.2525 7.18996 1.99431 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.286 7.18996 1.99431 0.31955 protocols.relax.FastRelax: CMD: min -74.7087 7.17564 1.98787 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7087 7.17564 1.98787 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -58.8585 7.17564 1.98787 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 457 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.1327 7.17564 1.98787 0.55 protocols.relax.FastRelax: CMD: min -71.9063 7.1484 2.15576 0.55 protocols.relax.FastRelax: MRP: 1 -71.9063 -71.9063 7.1484 2.15576 protocols.relax.FastRelax: CMD: accept_to_best -71.9063 7.1484 2.15576 0.55 protocols.relax.FastRelax: CMD: endrepeat -71.9063 7.1484 2.15576 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -71.9063 7.1484 2.15576 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -92.9994 7.1484 2.15576 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.1779 7.1484 2.15576 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -93.7706 7.1484 2.15576 0.02805 protocols.relax.FastRelax: CMD: min -99.823 7.16532 2.16738 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -99.823 7.16532 2.16738 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -77.9796 7.16532 2.16738 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.3358 7.16532 2.16738 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -81.4978 7.16532 2.16738 0.154 protocols.relax.FastRelax: CMD: min -87.3643 7.09105 2.22482 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.3643 7.09105 2.22482 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2784 7.09105 2.22482 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 458 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.501 7.09105 2.22482 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.6941 7.09105 2.22482 0.31955 protocols.relax.FastRelax: CMD: min -77.5709 7.09737 2.22353 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.5709 7.09737 2.22353 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.0331 7.09737 2.22353 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.0314 7.09737 2.22353 0.55 protocols.relax.FastRelax: CMD: min -70.4569 7.17097 2.241 0.55 protocols.relax.FastRelax: MRP: 2 -70.4569 -71.9063 7.1484 2.15576 protocols.relax.FastRelax: CMD: accept_to_best -70.4569 7.17097 2.241 0.55 protocols.relax.FastRelax: CMD: endrepeat -70.4569 7.17097 2.241 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -70.4569 7.17097 2.241 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -91.3872 7.17097 2.241 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -92.5758 7.17097 2.241 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.1772 7.17097 2.241 0.02805 protocols.relax.FastRelax: CMD: min -98.6913 7.20896 2.2692 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -98.6913 7.20896 2.2692 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -72.2673 7.20896 2.2692 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 469 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.086 7.20896 2.2692 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -79.0886 7.20896 2.2692 0.154 protocols.relax.FastRelax: CMD: min -87.6857 7.10015 2.39671 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -87.6857 7.10015 2.39671 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8494 7.10015 2.39671 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 483 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.8532 7.10015 2.39671 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9211 7.10015 2.39671 0.31955 protocols.relax.FastRelax: CMD: min -75.8299 7.07655 2.3866 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -75.8299 7.07655 2.3866 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -59.5462 7.07655 2.3866 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.7062 7.07655 2.3866 0.55 protocols.relax.FastRelax: CMD: min -68.4949 7.14754 2.39685 0.55 protocols.relax.FastRelax: MRP: 3 -68.4949 -71.9063 7.1484 2.15576 protocols.relax.FastRelax: CMD: accept_to_best -68.4949 7.14754 2.39685 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.4949 7.14754 2.39685 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -68.4949 7.14754 2.39685 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -89.5516 7.14754 2.39685 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.1195 7.14754 2.39685 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -92.8035 7.14754 2.39685 0.02805 protocols.relax.FastRelax: CMD: min -93.2218 7.15044 2.39769 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.2218 7.15044 2.39769 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9064 7.15044 2.39769 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -84.2443 7.15044 2.39769 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -83.8656 7.15044 2.39769 0.154 protocols.relax.FastRelax: CMD: min -84.4056 7.16664 2.4072 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.4056 7.16664 2.4072 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.8425 7.16664 2.4072 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 465 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.9675 7.16664 2.4072 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.4106 7.16664 2.4072 0.31955 protocols.relax.FastRelax: CMD: min -76.4733 7.16143 2.40454 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -76.4733 7.16143 2.40454 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.0897 7.16143 2.40454 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 456 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.09 7.16143 2.40454 0.55 protocols.relax.FastRelax: CMD: min -68.4976 7.15496 2.39997 0.55 protocols.relax.FastRelax: MRP: 4 -68.4976 -71.9063 7.1484 2.15576 protocols.relax.FastRelax: CMD: accept_to_best -68.4976 7.15496 2.39997 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.4976 7.15496 2.39997 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_1.pdb protocols.relax.FastRelax: CMD: repeat 16821.7 7.48844 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16821.7 7.48844 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1780.16 7.48844 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 555 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 19.822 7.48844 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 36.5437 7.48844 0 0.02805 protocols.relax.FastRelax: CMD: min -51.6694 7.40801 2.50831 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -51.6694 7.40801 2.50831 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 18.8855 7.40801 2.50831 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 599 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 7.98568 7.40801 2.50831 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 11.8915 7.40801 2.50831 0.154 protocols.relax.FastRelax: CMD: min -33.0173 7.25047 2.61342 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -33.0173 7.25047 2.61342 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -18.6932 7.25047 2.61342 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -19.0752 7.25047 2.61342 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -17.9344 7.25047 2.61342 0.31955 protocols.relax.FastRelax: CMD: min -45.6874 7.32192 3.67046 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -45.6874 7.32192 3.67046 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -33.46 7.32192 3.67046 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -34.3318 7.32192 3.67046 0.55 protocols.relax.FastRelax: CMD: min -49.0702 7.88509 4.24163 0.55 protocols.relax.FastRelax: MRP: 0 -49.0702 -49.0702 7.88509 4.24163 protocols.relax.FastRelax: CMD: accept_to_best -49.0702 7.88509 4.24163 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.0702 7.88509 4.24163 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.0702 7.88509 4.24163 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.2618 7.88509 4.24163 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5522 7.88509 4.24163 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -72.8276 7.88509 4.24163 0.02805 protocols.relax.FastRelax: CMD: min -88.5374 8.04387 4.59348 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.5374 8.04387 4.59348 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.7673 8.04387 4.59348 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 561 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -49.1988 8.04387 4.59348 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -46.6746 8.04387 4.59348 0.154 protocols.relax.FastRelax: CMD: min -71.1995 7.99028 4.42674 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -71.1995 7.99028 4.42674 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4121 7.99028 4.42674 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8677 7.99028 4.42674 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -56.8446 7.99028 4.42674 0.31955 protocols.relax.FastRelax: CMD: min -60.0387 7.95609 4.35343 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.0387 7.95609 4.35343 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.806 7.95609 4.35343 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 494 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.1292 7.95609 4.35343 0.55 protocols.relax.FastRelax: CMD: min -55.7115 7.92602 4.26609 0.55 protocols.relax.FastRelax: MRP: 1 -55.7115 -55.7115 7.92602 4.26609 protocols.relax.FastRelax: CMD: accept_to_best -55.7115 7.92602 4.26609 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.7115 7.92602 4.26609 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.7115 7.92602 4.26609 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -74.9877 7.92602 4.26609 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.5892 7.92602 4.26609 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.8469 7.92602 4.26609 0.02805 protocols.relax.FastRelax: CMD: min -100.782 8.23065 4.65403 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -100.782 8.23065 4.65403 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -51.8607 8.23065 4.65403 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -53.3157 8.23065 4.65403 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -50.0241 8.23065 4.65403 0.154 protocols.relax.FastRelax: CMD: min -79.5474 8.11984 4.49716 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.5474 8.11984 4.49716 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.2812 8.11984 4.49716 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 523 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.2911 8.11984 4.49716 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.0895 8.11984 4.49716 0.31955 protocols.relax.FastRelax: CMD: min -66.152 8.0759 4.38507 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.152 8.0759 4.38507 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.3156 8.0759 4.38507 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.5707 8.0759 4.38507 0.55 protocols.relax.FastRelax: CMD: min -58.4039 8.03523 4.40014 0.55 protocols.relax.FastRelax: MRP: 2 -58.4039 -58.4039 8.03523 4.40014 protocols.relax.FastRelax: CMD: accept_to_best -58.4039 8.03523 4.40014 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.4039 8.03523 4.40014 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.4039 8.03523 4.40014 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -79.5808 8.03523 4.40014 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.2345 8.03523 4.40014 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.8116 8.03523 4.40014 0.02805 protocols.relax.FastRelax: CMD: min -101.898 8.27228 4.7563 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -101.898 8.27228 4.7563 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -55.9061 8.27228 4.7563 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 531 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.5714 8.27228 4.7563 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.6355 8.27228 4.7563 0.154 protocols.relax.FastRelax: CMD: min -80.7899 8.19577 4.55128 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -80.7899 8.19577 4.55128 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8951 8.19577 4.55128 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 529 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.6543 8.19577 4.55128 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.38 8.19577 4.55128 0.31955 protocols.relax.FastRelax: CMD: min -69.4877 8.09689 4.47286 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.4877 8.09689 4.47286 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.586 8.09689 4.47286 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.5901 8.09689 4.47286 0.55 protocols.relax.FastRelax: CMD: min -63.036 8.02875 4.34451 0.55 protocols.relax.FastRelax: MRP: 3 -63.036 -63.036 8.02875 4.34451 protocols.relax.FastRelax: CMD: accept_to_best -63.036 8.02875 4.34451 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.036 8.02875 4.34451 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -63.036 8.02875 4.34451 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -84.9777 8.02875 4.34451 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 517 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.5852 8.02875 4.34451 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.2262 8.02875 4.34451 0.02805 protocols.relax.FastRelax: CMD: min -100.777 8.2171 4.50022 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -100.777 8.2171 4.50022 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -73.5037 8.2171 4.50022 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 557 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.2446 8.2171 4.50022 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.5906 8.2171 4.50022 0.154 protocols.relax.FastRelax: CMD: min -82.0958 8.15642 4.38157 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.0958 8.15642 4.38157 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6186 8.15642 4.38157 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.6569 8.15642 4.38157 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.3431 8.15642 4.38157 0.31955 protocols.relax.FastRelax: CMD: min -70.6428 8.06805 4.38632 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.6428 8.06805 4.38632 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6297 8.06805 4.38632 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 474 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.6368 8.06805 4.38632 0.55 protocols.relax.FastRelax: CMD: min -63.0321 8.03128 4.34603 0.55 protocols.relax.FastRelax: MRP: 4 -63.0321 -63.036 8.02875 4.34451 protocols.relax.FastRelax: CMD: accept_to_best -63.0321 8.03128 4.34603 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.0321 8.03128 4.34603 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_20.pdb protocols.relax.FastRelax: CMD: repeat 16057.7 11.3162 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 16057.7 11.3162 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1779.01 11.3162 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 676 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 11.8706 11.3162 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 19.5791 11.3162 0 0.02805 protocols.relax.FastRelax: CMD: min -54.5839 11.6355 2.11648 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -54.5839 11.6355 2.11648 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -11.7209 11.6355 2.11648 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 576 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.4534 11.6355 2.11648 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -23.4997 11.6355 2.11648 0.154 protocols.relax.FastRelax: CMD: min -53.2381 11.6669 2.43212 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -53.2381 11.6669 2.43212 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -42.473 11.6669 2.43212 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -43.0863 11.6669 2.43212 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -42.2919 11.6669 2.43212 0.31955 protocols.relax.FastRelax: CMD: min -43.0938 11.6534 2.43911 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -43.0938 11.6534 2.43911 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -29.851 11.6534 2.43911 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 532 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.0831 11.6534 2.43911 0.55 protocols.relax.FastRelax: CMD: min -51.1195 11.3204 2.32169 0.55 protocols.relax.FastRelax: MRP: 0 -51.1195 -51.1195 11.3204 2.32169 protocols.relax.FastRelax: CMD: accept_to_best -51.1195 11.3204 2.32169 0.55 protocols.relax.FastRelax: CMD: endrepeat -51.1195 11.3204 2.32169 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -51.1195 11.3204 2.32169 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6136 11.3204 2.32169 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 677 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.5764 11.3204 2.32169 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -71.585 11.3204 2.32169 0.02805 protocols.relax.FastRelax: CMD: min -81.176 11.2796 2.42098 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -81.176 11.2796 2.42098 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.4701 11.2796 2.42098 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 683 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.9934 11.2796 2.42098 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -56.4538 11.2796 2.42098 0.154 protocols.relax.FastRelax: CMD: min -70.3381 11.3795 2.37956 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -70.3381 11.3795 2.37956 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -56.7383 11.3795 2.37956 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.8682 11.3795 2.37956 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -55.8222 11.3795 2.37956 0.31955 protocols.relax.FastRelax: CMD: min -60.1054 11.3179 2.37341 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -60.1054 11.3179 2.37341 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.3818 11.3179 2.37341 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 657 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.4277 11.3179 2.37341 0.55 protocols.relax.FastRelax: CMD: min -52.9427 11.3816 2.34118 0.55 protocols.relax.FastRelax: MRP: 1 -52.9427 -52.9427 11.3816 2.34118 protocols.relax.FastRelax: CMD: accept_to_best -52.9427 11.3816 2.34118 0.55 protocols.relax.FastRelax: CMD: endrepeat -52.9427 11.3816 2.34118 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -52.9427 11.3816 2.34118 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.054 11.3816 2.34118 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 687 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.3857 11.3816 2.34118 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.8654 11.3816 2.34118 0.02805 protocols.relax.FastRelax: CMD: min -88.1704 11.4142 2.53949 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -88.1704 11.4142 2.53949 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -42.6017 11.4142 2.53949 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 648 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.6938 11.4142 2.53949 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -53.0027 11.4142 2.53949 0.154 protocols.relax.FastRelax: CMD: min -68.814 11.5053 2.55412 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -68.814 11.5053 2.55412 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7036 11.5053 2.55412 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 606 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -59.3401 11.5053 2.55412 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -58.4299 11.5053 2.55412 0.31955 protocols.relax.FastRelax: CMD: min -59.478 11.493 2.55574 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -59.478 11.493 2.55574 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -44.93 11.493 2.55574 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.4547 11.493 2.55574 0.55 protocols.relax.FastRelax: CMD: min -55.0471 11.5196 2.85225 0.55 protocols.relax.FastRelax: MRP: 2 -55.0471 -55.0471 11.5196 2.85225 protocols.relax.FastRelax: CMD: accept_to_best -55.0471 11.5196 2.85225 0.55 protocols.relax.FastRelax: CMD: endrepeat -55.0471 11.5196 2.85225 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -55.0471 11.5196 2.85225 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.8946 11.5196 2.85225 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 584 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.2391 11.5196 2.85225 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -78.0998 11.5196 2.85225 0.02805 protocols.relax.FastRelax: CMD: min -96.915 11.5704 2.94936 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.915 11.5704 2.94936 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -62.1619 11.5704 2.94936 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 587 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.2779 11.5704 2.94936 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -63.0993 11.5704 2.94936 0.154 protocols.relax.FastRelax: CMD: min -79.6866 11.5452 3.00364 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.6866 11.5452 3.00364 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -66.509 11.5452 3.00364 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 565 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -66.669 11.5452 3.00364 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.639 11.5452 3.00364 0.31955 protocols.relax.FastRelax: CMD: min -67.4496 11.5138 3.00629 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.4496 11.5138 3.00629 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0745 11.5138 3.00629 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 542 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.0958 11.5138 3.00629 0.55 protocols.relax.FastRelax: CMD: min -64.8283 11.5849 2.90418 0.55 protocols.relax.FastRelax: MRP: 3 -64.8283 -64.8283 11.5849 2.90418 protocols.relax.FastRelax: CMD: accept_to_best -64.8283 11.5849 2.90418 0.55 protocols.relax.FastRelax: CMD: endrepeat -64.8283 11.5849 2.90418 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -64.8283 11.5849 2.90418 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.0778 11.5849 2.90418 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 616 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.767 11.5849 2.90418 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -86.4978 11.5849 2.90418 0.02805 protocols.relax.FastRelax: CMD: min -94.5133 11.6346 2.86224 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.5133 11.6346 2.86224 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6565 11.6346 2.86224 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 579 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.6345 11.6346 2.86224 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.081 11.6346 2.86224 0.154 protocols.relax.FastRelax: CMD: min -84.2701 11.5812 2.85569 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -84.2701 11.5812 2.85569 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6696 11.5812 2.85569 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 567 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -73.6757 11.5812 2.85569 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -72.8404 11.5812 2.85569 0.31955 protocols.relax.FastRelax: CMD: min -74.7179 11.575 2.8672 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7179 11.575 2.8672 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9939 11.575 2.8672 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.9939 11.575 2.8672 0.55 protocols.relax.FastRelax: CMD: min -67 11.641 3.01809 0.55 protocols.relax.FastRelax: MRP: 4 -67 -67 11.641 3.01809 protocols.relax.FastRelax: CMD: accept_to_best -67 11.641 3.01809 0.55 protocols.relax.FastRelax: CMD: endrepeat -67 11.641 3.01809 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_39.pdb protocols.relax.FastRelax: CMD: repeat 14172.8 6.9122 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14172.8 6.9122 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1686.5 6.9122 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 503 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -26.9481 6.9122 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -25.1682 6.9122 0 0.02805 protocols.relax.FastRelax: CMD: min -25.3547 6.91385 0.0167148 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -25.3547 6.91385 0.0167148 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 9.38271 6.91385 0.0167148 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 485 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.0293504 6.91385 0.0167148 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 1.60405 6.91385 0.0167148 0.154 protocols.relax.FastRelax: CMD: min -53.6194 7.58081 3.75816 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -53.6194 7.58081 3.75816 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3823 7.58081 3.75816 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.0367 7.58081 3.75816 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -45.3907 7.58081 3.75816 0.31955 protocols.relax.FastRelax: CMD: min -47.8773 7.68009 3.92022 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -47.8773 7.68009 3.92022 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -39.267 7.68009 3.92022 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 452 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.3487 7.68009 3.92022 0.55 protocols.relax.FastRelax: CMD: min -49.6749 10.174 7.76301 0.55 protocols.relax.FastRelax: MRP: 0 -49.6749 -49.6749 10.174 7.76301 protocols.relax.FastRelax: CMD: accept_to_best -49.6749 10.174 7.76301 0.55 protocols.relax.FastRelax: CMD: endrepeat -49.6749 10.174 7.76301 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -49.6749 10.174 7.76301 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8788 10.174 7.76301 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 476 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.9515 10.174 7.76301 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -68.8874 10.174 7.76301 0.02805 protocols.relax.FastRelax: CMD: min -73.2815 10.152 7.65565 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -73.2815 10.152 7.65565 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -34.0383 10.152 7.65565 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 459 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.1299 10.152 7.65565 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -45.6301 10.152 7.65565 0.154 protocols.relax.FastRelax: CMD: min -65.1847 10.2571 7.71807 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -65.1847 10.2571 7.71807 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7848 10.2571 7.71807 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 453 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8923 10.2571 7.71807 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -57.3079 10.2571 7.71807 0.31955 protocols.relax.FastRelax: CMD: min -57.7118 10.2546 7.72367 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -57.7118 10.2546 7.72367 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.245 10.2546 7.72367 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.2478 10.2546 7.72367 0.55 protocols.relax.FastRelax: CMD: min -57.891 10.0233 8.39731 0.55 protocols.relax.FastRelax: MRP: 1 -57.891 -57.891 10.0233 8.39731 protocols.relax.FastRelax: CMD: accept_to_best -57.891 10.0233 8.39731 0.55 protocols.relax.FastRelax: CMD: endrepeat -57.891 10.0233 8.39731 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -57.891 10.0233 8.39731 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.7303 10.0233 8.39731 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 462 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.9726 10.0233 8.39731 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3681 10.0233 8.39731 0.02805 protocols.relax.FastRelax: CMD: min -83.199 9.92376 8.35056 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -83.199 9.92376 8.35056 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6137 9.92376 8.35056 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 455 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.2591 9.92376 8.35056 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -66.3149 9.92376 8.35056 0.154 protocols.relax.FastRelax: CMD: min -73.8797 10.0018 8.36332 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.8797 10.0018 8.36332 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.8889 10.0018 8.36332 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 448 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.8904 10.0018 8.36332 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2605 10.0018 8.36332 0.31955 protocols.relax.FastRelax: CMD: min -65.6494 10.0016 8.36866 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -65.6494 10.0016 8.36866 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3994 10.0016 8.36866 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 432 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.441 10.0016 8.36866 0.55 protocols.relax.FastRelax: CMD: min -62.507 10.2843 8.61636 0.55 protocols.relax.FastRelax: MRP: 2 -62.507 -62.507 10.2843 8.61636 protocols.relax.FastRelax: CMD: accept_to_best -62.507 10.2843 8.61636 0.55 protocols.relax.FastRelax: CMD: endrepeat -62.507 10.2843 8.61636 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -62.507 10.2843 8.61636 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.0971 10.2843 8.61636 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 463 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -80.9951 10.2843 8.61636 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0745 10.2843 8.61636 0.02805 protocols.relax.FastRelax: CMD: min -89.3451 10.2227 8.54413 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.3451 10.2227 8.54413 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1918 10.2227 8.54413 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 472 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -69.7617 10.2227 8.54413 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.5043 10.2227 8.54413 0.154 protocols.relax.FastRelax: CMD: min -79.5037 10.2157 8.60429 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.5037 10.2157 8.60429 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -70.5695 10.2157 8.60429 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 446 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.7053 10.2157 8.60429 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0039 10.2157 8.60429 0.31955 protocols.relax.FastRelax: CMD: min -70.3777 10.2144 8.60813 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -70.3777 10.2144 8.60813 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.7882 10.2144 8.60813 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 437 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.7998 10.2144 8.60813 0.55 protocols.relax.FastRelax: CMD: min -69.3758 10.4187 9.38525 0.55 protocols.relax.FastRelax: MRP: 3 -69.3758 -69.3758 10.4187 9.38525 protocols.relax.FastRelax: CMD: accept_to_best -69.3758 10.4187 9.38525 0.55 protocols.relax.FastRelax: CMD: endrepeat -69.3758 10.4187 9.38525 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -69.3758 10.4187 9.38525 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -86.3578 10.4187 9.38525 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 488 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -87.7244 10.4187 9.38525 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.2642 10.4187 9.38525 0.02805 protocols.relax.FastRelax: CMD: min -94.3739 10.2064 9.20565 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.3739 10.2064 9.20565 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.7324 10.2064 9.20565 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 478 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.3206 10.2064 9.20565 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -75.334 10.2064 9.20565 0.154 protocols.relax.FastRelax: CMD: min -82.2703 10.2273 9.22602 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -82.2703 10.2273 9.22602 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0069 10.2273 9.22602 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 460 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -74.0124 10.2273 9.22602 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -73.3612 10.2273 9.22602 0.31955 protocols.relax.FastRelax: CMD: min -74.3751 10.2431 9.27251 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -74.3751 10.2431 9.27251 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -64.1135 10.2431 9.27251 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.1135 10.2431 9.27251 0.55 protocols.relax.FastRelax: CMD: min -68.7335 10.1959 9.07478 0.55 protocols.relax.FastRelax: MRP: 4 -68.7335 -69.3758 10.4187 9.38525 protocols.relax.FastRelax: CMD: accept_to_best -68.7335 10.1959 9.07478 0.55 protocols.relax.FastRelax: CMD: endrepeat -68.7335 10.1959 9.07478 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_10.pdb protocols.relax.FastRelax: CMD: repeat 14913.4 6.65459 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 14913.4 6.65459 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1808.81 6.65459 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 504 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.681 6.65459 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -21.5129 6.65459 0 0.02805 protocols.relax.FastRelax: CMD: min -21.6464 6.65619 0.00957758 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -21.6464 6.65619 0.00957758 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 20.4455 6.65619 0.00957758 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 2.35831 6.65619 0.00957758 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 3.81511 6.65619 0.00957758 0.154 protocols.relax.FastRelax: CMD: min -60.7819 7.63206 3.16823 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.7819 7.63206 3.16823 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.0595 7.63206 3.16823 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.776 7.63206 3.16823 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.9946 7.63206 3.16823 0.31955 protocols.relax.FastRelax: CMD: min -52.1638 7.63364 3.17331 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.1638 7.63364 3.17331 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -37.4635 7.63364 3.17331 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 466 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -38.0864 7.63364 3.17331 0.55 protocols.relax.FastRelax: CMD: min -58.4642 8.04433 3.76485 0.55 protocols.relax.FastRelax: MRP: 0 -58.4642 -58.4642 8.04433 3.76485 protocols.relax.FastRelax: CMD: accept_to_best -58.4642 8.04433 3.76485 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.4642 8.04433 3.76485 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.4642 8.04433 3.76485 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -78.2296 8.04433 3.76485 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 484 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.7937 8.04433 3.76485 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.2818 8.04433 3.76485 0.02805 protocols.relax.FastRelax: CMD: min -89.8565 8.07467 3.91153 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.8565 8.07467 3.91153 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8235 8.07467 3.91153 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 482 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.5604 8.07467 3.91153 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.3217 8.07467 3.91153 0.154 protocols.relax.FastRelax: CMD: min -76.7434 8.06199 3.81999 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.7434 8.06199 3.81999 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.2322 8.06199 3.81999 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 477 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.0776 8.06199 3.81999 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -67.3601 8.06199 3.81999 0.31955 protocols.relax.FastRelax: CMD: min -67.7178 8.06221 3.82845 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -67.7178 8.06221 3.82845 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -54.3738 8.06221 3.82845 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 464 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.7999 8.06221 3.82845 0.55 protocols.relax.FastRelax: CMD: min -67.9697 7.79724 3.84171 0.55 protocols.relax.FastRelax: MRP: 1 -67.9697 -67.9697 7.79724 3.84171 protocols.relax.FastRelax: CMD: accept_to_best -67.9697 7.79724 3.84171 0.55 protocols.relax.FastRelax: CMD: endrepeat -67.9697 7.79724 3.84171 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -67.9697 7.79724 3.84171 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -88.7357 7.79724 3.84171 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.3708 7.79724 3.84171 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -90.2501 7.79724 3.84171 0.02805 protocols.relax.FastRelax: CMD: min -107.852 7.73053 4.18852 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -107.852 7.73053 4.18852 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -67.7748 7.73053 4.18852 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.1717 7.73053 4.18852 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -70.0234 7.73053 4.18852 0.154 protocols.relax.FastRelax: CMD: min -89.8149 7.78807 4.06423 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -89.8149 7.78807 4.06423 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.707 7.78807 4.06423 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 501 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.787 7.78807 4.06423 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.774 7.78807 4.06423 0.31955 protocols.relax.FastRelax: CMD: min -77.6408 7.77175 4.0461 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -77.6408 7.77175 4.0461 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -60.0013 7.77175 4.0461 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 491 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.5818 7.77175 4.0461 0.55 protocols.relax.FastRelax: CMD: min -74.4734 7.78483 4.06415 0.55 protocols.relax.FastRelax: MRP: 2 -74.4734 -74.4734 7.78483 4.06415 protocols.relax.FastRelax: CMD: accept_to_best -74.4734 7.78483 4.06415 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.4734 7.78483 4.06415 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.4734 7.78483 4.06415 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -95.6671 7.78483 4.06415 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 551 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -98.8021 7.78483 4.06415 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.1279 7.78483 4.06415 0.02805 protocols.relax.FastRelax: CMD: min -106.674 7.84258 4.20531 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -106.674 7.84258 4.20531 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.5981 7.84258 4.20531 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -72.0277 7.84258 4.20531 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -69.8948 7.84258 4.20531 0.154 protocols.relax.FastRelax: CMD: min -90.9934 7.78442 4.07236 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.9934 7.78442 4.07236 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -81.0343 7.78442 4.07236 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 495 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.9122 7.78442 4.07236 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1687 7.78442 4.07236 0.31955 protocols.relax.FastRelax: CMD: min -81.2319 7.78748 4.07568 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.2319 7.78748 4.07568 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -67.0722 7.78748 4.07568 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 486 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.2628 7.78748 4.07568 0.55 protocols.relax.FastRelax: CMD: min -74.9391 7.79907 4.07759 0.55 protocols.relax.FastRelax: MRP: 3 -74.9391 -74.9391 7.79907 4.07759 protocols.relax.FastRelax: CMD: accept_to_best -74.9391 7.79907 4.07759 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.9391 7.79907 4.07759 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -74.9391 7.79907 4.07759 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -96.1905 7.79907 4.07759 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 544 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -99.5643 7.79907 4.07759 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -97.9623 7.79907 4.07759 0.02805 protocols.relax.FastRelax: CMD: min -115.955 7.77793 4.32849 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -115.955 7.77793 4.32849 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.3489 7.77793 4.32849 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.6967 7.77793 4.32849 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9222 7.77793 4.32849 0.154 protocols.relax.FastRelax: CMD: min -90.8557 7.67748 4.10266 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -90.8557 7.67748 4.10266 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -76.8299 7.67748 4.10266 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 496 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -77.3203 7.67748 4.10266 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -76.2152 7.67748 4.10266 0.31955 protocols.relax.FastRelax: CMD: min -81.5838 7.73292 4.07103 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -81.5838 7.73292 4.07103 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -66.8752 7.73292 4.07103 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 487 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0088 7.73292 4.07103 0.55 protocols.relax.FastRelax: CMD: min -74.5917 7.78707 4.03123 0.55 protocols.relax.FastRelax: MRP: 4 -74.5917 -74.9391 7.79907 4.07759 protocols.relax.FastRelax: CMD: accept_to_best -74.5917 7.78707 4.03123 0.55 protocols.relax.FastRelax: CMD: endrepeat -74.5917 7.78707 4.03123 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_30.pdb protocols.relax.FastRelax: CMD: repeat 11996.2 8.1272 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11996.2 8.1272 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1582.79 8.1272 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 506 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 15.7935 8.1272 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 28.4879 8.1272 0 0.02805 protocols.relax.FastRelax: CMD: min -76.7014 8.56696 1.59922 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -76.7014 8.56696 1.59922 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.8339 8.56696 1.59922 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 468 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -29.4014 8.56696 1.59922 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -26.6737 8.56696 1.59922 0.154 protocols.relax.FastRelax: CMD: min -64.5028 8.39845 1.39607 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -64.5028 8.39845 1.39607 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.5847 8.39845 1.39607 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.7636 8.39845 1.39607 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -51.8095 8.39845 1.39607 0.31955 protocols.relax.FastRelax: CMD: min -52.3106 8.38158 1.39185 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -52.3106 8.38158 1.39185 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -35.1389 8.38158 1.39185 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 509 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -35.2164 8.38158 1.39185 0.55 protocols.relax.FastRelax: CMD: min -54.364 8.05542 1.3944 0.55 protocols.relax.FastRelax: MRP: 0 -54.364 -54.364 8.05542 1.3944 protocols.relax.FastRelax: CMD: accept_to_best -54.364 8.05542 1.3944 0.55 protocols.relax.FastRelax: CMD: endrepeat -54.364 8.05542 1.3944 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -54.364 8.05542 1.3944 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6884 8.05542 1.3944 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 540 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.6461 8.05542 1.3944 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.3567 8.05542 1.3944 0.02805 protocols.relax.FastRelax: CMD: min -90.8191 7.99051 1.43473 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.8191 7.99051 1.43473 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -53.3921 7.99051 1.43473 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 527 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -54.6801 7.99051 1.43473 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -52.1983 7.99051 1.43473 0.154 protocols.relax.FastRelax: CMD: min -74.7113 8.03121 1.40198 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -74.7113 8.03121 1.40198 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2424 8.03121 1.40198 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 518 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.9497 8.03121 1.40198 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.9767 8.03121 1.40198 0.31955 protocols.relax.FastRelax: CMD: min -61.89 8.01734 1.41521 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.89 8.01734 1.41521 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.1195 8.01734 1.41521 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.1233 8.01734 1.41521 0.55 protocols.relax.FastRelax: CMD: min -56.1398 7.87881 1.50448 0.55 protocols.relax.FastRelax: MRP: 1 -56.1398 -56.1398 7.87881 1.50448 protocols.relax.FastRelax: CMD: accept_to_best -56.1398 7.87881 1.50448 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.1398 7.87881 1.50448 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.1398 7.87881 1.50448 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.5544 7.87881 1.50448 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 539 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.893 7.87881 1.50448 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.0779 7.87881 1.50448 0.02805 protocols.relax.FastRelax: CMD: min -89.8246 7.95133 1.55478 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.8246 7.95133 1.55478 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.4311 7.95133 1.55478 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 525 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.2358 7.95133 1.55478 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -60.5407 7.95133 1.55478 0.154 protocols.relax.FastRelax: CMD: min -73.2951 7.94645 1.49586 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.2951 7.94645 1.49586 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -61.651 7.94645 1.49586 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 514 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -61.66 7.94645 1.49586 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -60.7216 7.94645 1.49586 0.31955 protocols.relax.FastRelax: CMD: min -61.5169 7.92998 1.49614 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -61.5169 7.92998 1.49614 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.0671 7.92998 1.49614 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 505 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.3502 7.92998 1.49614 0.55 protocols.relax.FastRelax: CMD: min -56.2244 7.84747 1.51713 0.55 protocols.relax.FastRelax: MRP: 2 -56.2244 -56.2244 7.84747 1.51713 protocols.relax.FastRelax: CMD: accept_to_best -56.2244 7.84747 1.51713 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.2244 7.84747 1.51713 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.2244 7.84747 1.51713 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.7722 7.84747 1.51713 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.8045 7.84747 1.51713 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.9905 7.84747 1.51713 0.02805 protocols.relax.FastRelax: CMD: min -89.3321 7.89487 1.58322 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -89.3321 7.89487 1.58322 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -59.014 7.89487 1.58322 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 526 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.1875 7.89487 1.58322 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -61.5796 7.89487 1.58322 0.154 protocols.relax.FastRelax: CMD: min -73.6296 7.89911 1.47985 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.6296 7.89911 1.47985 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9359 7.89911 1.47985 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 511 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.1904 7.89911 1.47985 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.3162 7.89911 1.47985 0.31955 protocols.relax.FastRelax: CMD: min -62.9168 7.88293 1.48051 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.9168 7.88293 1.48051 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -47.5028 7.88293 1.48051 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 507 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.6245 7.88293 1.48051 0.55 protocols.relax.FastRelax: CMD: min -56.2251 7.84594 1.51789 0.55 protocols.relax.FastRelax: MRP: 3 -56.2251 -56.2251 7.84594 1.51789 protocols.relax.FastRelax: CMD: accept_to_best -56.2251 7.84594 1.51789 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.2251 7.84594 1.51789 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.2251 7.84594 1.51789 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.7856 7.84594 1.51789 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 538 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.8777 7.84594 1.51789 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -76.0526 7.84594 1.51789 0.02805 protocols.relax.FastRelax: CMD: min -90.1691 7.94362 1.59576 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -90.1691 7.94362 1.59576 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.1784 7.94362 1.59576 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 521 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.7076 7.94362 1.59576 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -58.929 7.94362 1.59576 0.154 protocols.relax.FastRelax: CMD: min -73.4052 7.91362 1.46199 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -73.4052 7.91362 1.46199 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.096 7.91362 1.46199 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 510 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -62.3572 7.91362 1.46199 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -61.4485 7.91362 1.46199 0.31955 protocols.relax.FastRelax: CMD: min -62.4465 7.90208 1.47468 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -62.4465 7.90208 1.47468 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -46.9297 7.90208 1.47468 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 508 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -47.0272 7.90208 1.47468 0.55 protocols.relax.FastRelax: CMD: min -56.571 7.92763 1.48553 0.55 protocols.relax.FastRelax: MRP: 4 -56.571 -56.571 7.92763 1.48553 protocols.relax.FastRelax: CMD: accept_to_best -56.571 7.92763 1.48553 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.571 7.92763 1.48553 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_11.pdb protocols.relax.FastRelax: CMD: repeat 15588.2 5.14373 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 15588.2 5.14373 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1726.47 5.14373 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 454 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 19.2096 5.14373 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 27.2068 5.14373 0 0.02805 protocols.relax.FastRelax: CMD: min -51.439 5.52152 1.87873 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -51.439 5.52152 1.87873 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -17.6576 5.52152 1.87873 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 512 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -23.9538 5.52152 1.87873 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -22.3326 5.52152 1.87873 0.154 protocols.relax.FastRelax: CMD: min -38.3814 5.78434 1.89748 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -38.3814 5.78434 1.89748 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -27.5888 5.78434 1.89748 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 548 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -27.8205 5.78434 1.89748 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -26.9756 5.78434 1.89748 0.31955 protocols.relax.FastRelax: CMD: min -27.8164 5.77991 1.8931 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -27.8164 5.77991 1.8931 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -12.8049 5.77991 1.8931 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 522 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -12.9062 5.77991 1.8931 0.55 protocols.relax.FastRelax: CMD: min -28.0739 5.76866 2.32957 0.55 protocols.relax.FastRelax: MRP: 0 -28.0739 -28.0739 5.76866 2.32957 protocols.relax.FastRelax: CMD: accept_to_best -28.0739 5.76866 2.32957 0.55 protocols.relax.FastRelax: CMD: endrepeat -28.0739 5.76866 2.32957 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -28.0739 5.76866 2.32957 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -46.0074 5.76866 2.32957 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 677 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -51.3486 5.76866 2.32957 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -50.8976 5.76866 2.32957 0.02805 protocols.relax.FastRelax: CMD: min -58.4662 5.73571 2.34731 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -58.4662 5.73571 2.34731 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.3861 5.73571 2.34731 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 596 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -45.7429 5.73571 2.34731 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -44.951 5.73571 2.34731 0.154 protocols.relax.FastRelax: CMD: min -47.2745 5.74407 2.28383 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -47.2745 5.74407 2.28383 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7469 5.74407 2.28383 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 559 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.9652 5.74407 2.28383 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -37.2494 5.74407 2.28383 0.31955 protocols.relax.FastRelax: CMD: min -38.3934 5.78663 2.34019 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -38.3934 5.78663 2.34019 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -24.9796 5.78663 2.34019 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 547 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -25.4353 5.78663 2.34019 0.55 protocols.relax.FastRelax: CMD: min -44.1106 6.18894 3.19262 0.55 protocols.relax.FastRelax: MRP: 1 -44.1106 -44.1106 6.18894 3.19262 protocols.relax.FastRelax: CMD: accept_to_best -44.1106 6.18894 3.19262 0.55 protocols.relax.FastRelax: CMD: endrepeat -44.1106 6.18894 3.19262 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -44.1106 6.18894 3.19262 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -61.2224 6.18894 3.19262 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 693 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.2706 6.18894 3.19262 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -63.0377 6.18894 3.19262 0.02805 protocols.relax.FastRelax: CMD: min -67.7816 6.17657 3.29845 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -67.7816 6.17657 3.29845 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -50.582 6.17657 3.29845 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 748 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.2374 6.17657 3.29845 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -51.2093 6.17657 3.29845 0.154 protocols.relax.FastRelax: CMD: min -60.4177 6.16909 3.23542 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.4177 6.16909 3.23542 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -51.9736 6.16909 3.23542 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 617 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.6837 6.16909 3.23542 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -52.0486 6.16909 3.23542 0.31955 protocols.relax.FastRelax: CMD: min -54.7944 6.11852 3.20373 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -54.7944 6.11852 3.20373 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -45.9466 6.11852 3.20373 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 591 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -46.1409 6.11852 3.20373 0.55 protocols.relax.FastRelax: CMD: min -53.9886 6.11703 3.19862 0.55 protocols.relax.FastRelax: MRP: 2 -53.9886 -53.9886 6.11703 3.19862 protocols.relax.FastRelax: CMD: accept_to_best -53.9886 6.11703 3.19862 0.55 protocols.relax.FastRelax: CMD: endrepeat -53.9886 6.11703 3.19862 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -53.9886 6.11703 3.19862 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -72.3263 6.11703 3.19862 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 735 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -75.0466 6.11703 3.19862 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -74.0963 6.11703 3.19862 0.02805 protocols.relax.FastRelax: CMD: min -85.8758 6.16727 3.30601 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.8758 6.16727 3.30601 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.446 6.16727 3.30601 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 824 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.6166 6.16727 3.30601 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -64.3898 6.16727 3.30601 0.154 protocols.relax.FastRelax: CMD: min -72.5096 6.17423 3.24533 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.5096 6.17423 3.24533 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -62.933 6.17423 3.24533 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 721 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.0331 6.17423 3.24533 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.2767 6.17423 3.24533 0.31955 protocols.relax.FastRelax: CMD: min -64.0544 6.15821 3.22472 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -64.0544 6.15821 3.22472 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4401 6.15821 3.22472 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 558 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.5038 6.15821 3.22472 0.55 protocols.relax.FastRelax: CMD: min -56.5685 6.10597 3.203 0.55 protocols.relax.FastRelax: MRP: 3 -56.5685 -56.5685 6.10597 3.203 protocols.relax.FastRelax: CMD: accept_to_best -56.5685 6.10597 3.203 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.5685 6.10597 3.203 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -56.5685 6.10597 3.203 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -75.2717 6.10597 3.203 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 731 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -76.3688 6.10597 3.203 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.4535 6.10597 3.203 0.02805 protocols.relax.FastRelax: CMD: min -85.1544 6.14104 3.31102 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -85.1544 6.14104 3.31102 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5571 6.14104 3.31102 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 816 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.0622 6.14104 3.31102 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9589 6.14104 3.31102 0.154 protocols.relax.FastRelax: CMD: min -72.8689 6.12796 3.23752 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -72.8689 6.12796 3.23752 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.6597 6.12796 3.23752 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 750 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -63.6604 6.12796 3.23752 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -62.9345 6.12796 3.23752 0.31955 protocols.relax.FastRelax: CMD: min -63.5725 6.12273 3.22598 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -63.5725 6.12273 3.22598 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -50.809 6.12273 3.22598 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 589 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.8421 6.12273 3.22598 0.55 protocols.relax.FastRelax: CMD: min -56.7054 6.10621 3.19934 0.55 protocols.relax.FastRelax: MRP: 4 -56.7054 -56.7054 6.10621 3.19934 protocols.relax.FastRelax: CMD: accept_to_best -56.7054 6.10621 3.19934 0.55 protocols.relax.FastRelax: CMD: endrepeat -56.7054 6.10621 3.19934 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/belenprotein5/decoy_16.pdb protocols.relax.FastRelax: CMD: repeat 11227.8 9.0962 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 11227.8 9.0962 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 1614.83 9.0962 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 681 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 0.0829023 9.0962 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 8.44848 9.0962 0 0.02805 protocols.relax.FastRelax: CMD: min -70.8186 10.0119 2.5519 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -70.8186 10.0119 2.5519 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.9294 10.0119 2.5519 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 764 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -39.847 10.0119 2.5519 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -37.7964 10.0119 2.5519 0.154 protocols.relax.FastRelax: CMD: min -60.3569 10.0754 2.83006 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -60.3569 10.0754 2.83006 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -48.333 10.0754 2.83006 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 752 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -50.5591 10.0754 2.83006 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -49.5532 10.0754 2.83006 0.31955 protocols.relax.FastRelax: CMD: min -51.1435 10.0775 2.85168 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -51.1435 10.0775 2.85168 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -32.4964 10.0775 2.85168 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 749 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -32.6733 10.0775 2.85168 0.55 protocols.relax.FastRelax: CMD: min -58.9932 10.2911 3.26318 0.55 protocols.relax.FastRelax: MRP: 0 -58.9932 -58.9932 10.2911 3.26318 protocols.relax.FastRelax: CMD: accept_to_best -58.9932 10.2911 3.26318 0.55 protocols.relax.FastRelax: CMD: endrepeat -58.9932 10.2911 3.26318 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -58.9932 10.2911 3.26318 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -77.2465 10.2911 3.26318 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 826 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -81.2028 10.2911 3.26318 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -80.6225 10.2911 3.26318 0.02805 protocols.relax.FastRelax: CMD: min -93.1399 10.2786 3.41974 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.1399 10.2786 3.41974 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -41.8505 10.2786 3.41974 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 773 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.8303 10.2786 3.41974 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -55.6135 10.2786 3.41974 0.154 protocols.relax.FastRelax: CMD: min -76.6113 10.2535 3.41032 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -76.6113 10.2535 3.41032 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8283 10.2535 3.41032 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 711 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.3188 10.2535 3.41032 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -63.3121 10.2535 3.41032 0.31955 protocols.relax.FastRelax: CMD: min -66.077 10.2721 3.38036 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -66.077 10.2721 3.38036 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -52.2028 10.2721 3.38036 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 697 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -52.224 10.2721 3.38036 0.55 protocols.relax.FastRelax: CMD: min -61.7754 10.2272 3.31012 0.55 protocols.relax.FastRelax: MRP: 1 -61.7754 -61.7754 10.2272 3.31012 protocols.relax.FastRelax: CMD: accept_to_best -61.7754 10.2272 3.31012 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.7754 10.2272 3.31012 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.7754 10.2272 3.31012 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.7769 10.2272 3.31012 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 871 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.8464 10.2272 3.31012 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.9113 10.2272 3.31012 0.02805 protocols.relax.FastRelax: CMD: min -94.0231 10.2593 3.44313 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -94.0231 10.2593 3.44313 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -60.2118 10.2593 3.44313 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 769 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.0443 10.2593 3.44313 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -68.4829 10.2593 3.44313 0.154 protocols.relax.FastRelax: CMD: min -79.6125 10.2172 3.35983 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -79.6125 10.2172 3.35983 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -67.1553 10.2172 3.35983 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 698 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -67.2284 10.2172 3.35983 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -66.2501 10.2172 3.35983 0.31955 protocols.relax.FastRelax: CMD: min -68.8923 10.2146 3.37333 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.8923 10.2146 3.37333 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -55.7497 10.2146 3.37333 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 695 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -55.7498 10.2146 3.37333 0.55 protocols.relax.FastRelax: CMD: min -61.7016 10.2186 3.33055 0.55 protocols.relax.FastRelax: MRP: 2 -61.7016 -61.7754 10.2272 3.31012 protocols.relax.FastRelax: CMD: accept_to_best -61.7016 10.2186 3.33055 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.7016 10.2186 3.33055 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.7016 10.2186 3.33055 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -81.1242 10.2186 3.33055 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 868 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -83.476 10.2186 3.33055 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -82.7387 10.2186 3.33055 0.02805 protocols.relax.FastRelax: CMD: min -93.8577 10.2351 3.41453 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -93.8577 10.2351 3.41453 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.7477 10.2351 3.41453 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 764 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -64.3763 10.2351 3.41453 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -62.5525 10.2351 3.41453 0.154 protocols.relax.FastRelax: CMD: min -77.3182 10.1769 3.35024 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.3182 10.1769 3.35024 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -65.2968 10.1769 3.35024 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 697 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.5358 10.1769 3.35024 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.5983 10.1769 3.35024 0.31955 protocols.relax.FastRelax: CMD: min -68.2226 10.1984 3.33165 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -68.2226 10.1984 3.33165 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -56.3627 10.1984 3.33165 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 690 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -56.5092 10.1984 3.33165 0.55 protocols.relax.FastRelax: CMD: min -61.4497 10.174 3.35562 0.55 protocols.relax.FastRelax: MRP: 3 -61.4497 -61.7754 10.2272 3.31012 protocols.relax.FastRelax: CMD: accept_to_best -61.4497 10.174 3.35562 0.55 protocols.relax.FastRelax: CMD: endrepeat -61.4497 10.174 3.35562 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -61.4497 10.174 3.35562 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -80.0699 10.174 3.35562 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 881 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.7359 10.174 3.35562 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -81.7814 10.174 3.35562 0.02805 protocols.relax.FastRelax: CMD: min -96.2224 10.2878 3.54158 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -96.2224 10.2878 3.54158 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -48.2735 10.2878 3.54158 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 758 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -60.0956 10.2878 3.54158 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -57.8781 10.2878 3.54158 0.154 protocols.relax.FastRelax: CMD: min -77.8009 10.1871 3.45547 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -77.8009 10.1871 3.45547 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -64.9423 10.1871 3.45547 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 696 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -65.6332 10.1871 3.45547 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -64.6087 10.1871 3.45547 0.31955 protocols.relax.FastRelax: CMD: min -69.1435 10.1776 3.41229 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -69.1435 10.1776 3.41229 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -57.2412 10.1776 3.41229 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 687 rotamers at 42 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -57.2417 10.1776 3.41229 0.55 protocols.relax.FastRelax: CMD: min -63.0598 10.1723 3.32936 0.55 protocols.relax.FastRelax: MRP: 4 -63.0598 -63.0598 10.1723 3.32936 protocols.relax.FastRelax: CMD: accept_to_best -63.0598 10.1723 3.32936 0.55 protocols.relax.FastRelax: CMD: endrepeat -63.0598 10.1723 3.32936 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 [53]:
decoy_poses = [prs.pose_from_pdb(f) for f in glob.glob(job_output + '*.pdb')]
core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_21.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_6.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_8.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_11.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_35.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_15.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_47.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_16.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_14.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_38.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_13.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_1.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_23.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_0.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_18.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_12.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_42.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_49.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_33.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_19.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_24.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_43.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_36.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_32.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_17.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_31.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_40.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_5.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_46.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_48.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_41.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_44.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_20.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_30.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_28.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_9.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_10.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_7.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_29.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_37.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_25.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_34.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_4.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_39.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_45.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_27.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_22.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_2.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_3.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_26.pdb' automatically determined to be of type PDB
In [54]:
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 [55]:
rmsds = align_and_get_rmsds(native_pose, decoy_poses)
protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.6648234) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 42.1311670) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.4212878) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.9964189) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.4648498) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.6471825) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 32.9892364) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 42.0501489) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 37.7838160) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 36.5648634) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.9812325) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 42.6067033) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 37.7581268) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 37.8097654) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.9324858) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.9075549) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.4761137) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 34.5015504) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 36.6089223) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.1299441) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.4174273) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 44.4600452) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.7061042) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.8143872) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.3099833) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.5616162) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 37.7882163) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 38.1833448) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.9315383) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.3638079) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.0780362) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.0367675) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.8717035) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.4191893) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 34.0234253) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.5776377) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.4469933) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.9484828) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 38.3201513) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.5480598) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 35.0629223) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.2660439) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.5782373) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 35.7956956) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.2803399) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 41.3866669) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 39.6924503) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.0835867) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 35.9481457) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 127 atoms in 1-42 (RMSD 40.4448692)
In [56]:
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 [57]:
rmsd_df = pd.DataFrame(rmsd_data)
In [58]:
rmsd_df.sort_values('rmsd')
Out[58]:
| structure | rmsd | energy_score | |
|---|---|---|---|
| 5 | outputs/belenprotein5/decoy_47.pdb | 32.989236 | -49.805421 |
| 33 | outputs/belenprotein5/decoy_28.pdb | 34.023425 | -67.690443 |
| 16 | outputs/belenprotein5/decoy_49.pdb | 34.501550 | -64.612487 |
| 39 | outputs/belenprotein5/decoy_25.pdb | 35.062922 | -57.852637 |
| 42 | outputs/belenprotein5/decoy_39.pdb | 35.795696 | -71.906336 |
| 47 | outputs/belenprotein5/decoy_3.pdb | 35.948146 | -56.571017 |
| 8 | outputs/belenprotein5/decoy_38.pdb | 36.564863 | -79.946591 |
| 17 | outputs/belenprotein5/decoy_33.pdb | 36.608922 | -90.066331 |
| 11 | outputs/belenprotein5/decoy_23.pdb | 37.758127 | -66.441195 |
| 7 | outputs/belenprotein5/decoy_14.pdb | 37.783816 | -58.016752 |
| 25 | outputs/belenprotein5/decoy_40.pdb | 37.788216 | -69.474281 |
| 12 | outputs/belenprotein5/decoy_0.pdb | 37.809765 | -54.687874 |
| 26 | outputs/belenprotein5/decoy_5.pdb | 38.183345 | -64.718211 |
| 37 | outputs/belenprotein5/decoy_29.pdb | 38.320151 | -59.524865 |
| 30 | outputs/belenprotein5/decoy_44.pdb | 39.036768 | -73.928031 |
| 23 | outputs/belenprotein5/decoy_17.pdb | 39.309983 | -70.628652 |
| 28 | outputs/belenprotein5/decoy_48.pdb | 39.363808 | -30.972743 |
| 34 | outputs/belenprotein5/decoy_9.pdb | 39.577638 | -56.845855 |
| 41 | outputs/belenprotein5/decoy_4.pdb | 39.578237 | -60.208936 |
| 4 | outputs/belenprotein5/decoy_15.pdb | 39.647182 | -76.027210 |
| 45 | outputs/belenprotein5/decoy_22.pdb | 39.692450 | -69.375817 |
| 13 | outputs/belenprotein5/decoy_18.pdb | 39.932486 | -55.567339 |
| 36 | outputs/belenprotein5/decoy_7.pdb | 39.948483 | -86.760934 |
| 2 | outputs/belenprotein5/decoy_11.pdb | 39.996419 | -55.426378 |
| 46 | outputs/belenprotein5/decoy_2.pdb | 40.083587 | -74.939073 |
| 18 | outputs/belenprotein5/decoy_19.pdb | 40.129944 | -48.897786 |
| 19 | outputs/belenprotein5/decoy_24.pdb | 40.417427 | -66.049070 |
| 32 | outputs/belenprotein5/decoy_30.pdb | 40.419189 | -81.311867 |
| 1 | outputs/belenprotein5/decoy_8.pdb | 40.421288 | -73.371356 |
| 48 | outputs/belenprotein5/decoy_26.pdb | 40.444869 | -56.705370 |
| 3 | outputs/belenprotein5/decoy_35.pdb | 40.464850 | -63.606106 |
| 15 | outputs/belenprotein5/decoy_42.pdb | 40.476114 | -55.999721 |
| 38 | outputs/belenprotein5/decoy_37.pdb | 40.548060 | -57.129830 |
| 24 | outputs/belenprotein5/decoy_31.pdb | 40.561616 | -66.507485 |
| 21 | outputs/belenprotein5/decoy_36.pdb | 40.706104 | -58.075863 |
| 22 | outputs/belenprotein5/decoy_32.pdb | 40.814387 | -50.569689 |
| 14 | outputs/belenprotein5/decoy_12.pdb | 40.907555 | -72.444029 |
| 29 | outputs/belenprotein5/decoy_41.pdb | 41.078036 | -78.439843 |
| 40 | outputs/belenprotein5/decoy_34.pdb | 41.266044 | -66.754829 |
| 43 | outputs/belenprotein5/decoy_45.pdb | 41.280340 | -63.036048 |
| 44 | outputs/belenprotein5/decoy_27.pdb | 41.386667 | -67.000036 |
| 35 | outputs/belenprotein5/decoy_10.pdb | 41.446993 | -61.094343 |
| 31 | outputs/belenprotein5/decoy_20.pdb | 41.871703 | -76.971515 |
| 27 | outputs/belenprotein5/decoy_46.pdb | 41.931538 | -67.657735 |
| 9 | outputs/belenprotein5/decoy_13.pdb | 41.981232 | -77.058359 |
| 6 | outputs/belenprotein5/decoy_16.pdb | 42.050149 | -47.149941 |
| 0 | outputs/belenprotein5/decoy_6.pdb | 42.131167 | -42.765956 |
| 10 | outputs/belenprotein5/decoy_1.pdb | 42.606703 | -60.967198 |
| 20 | outputs/belenprotein5/decoy_43.pdb | 44.460045 | -67.376663 |
Q: Plot the energy_score VS rmsd. Are the lowest energy structures the closest to the native one?¶
In [59]:
!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 [60]:
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[60]:
array([[1. , 0.00903849],
[0.00903849, 1. ]])
In [65]:
decoy_33 = prs.pose_from_pdb('outputs/belenprotein5/decoy_33.pdb')
view = ngl.show_rosetta(decoy_33)
view
core.import_pose.import_pose: File 'outputs/belenprotein5/decoy_33.pdb' automatically determined to be of type PDB
In [ ]: