In [38]:
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=-1529697794 seed_offset=0 real_seed=-1529697794 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-1529697794 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 [39]:
!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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python_version < "3.8"->jsonschema!=2.5.0,>=2.4->nbformat>=4.2.0->ipywidgets>=7->nglview) (2.2.0) Requirement already satisfied: webencodings in /home/ec2-user/miniconda3/envs/myenv/lib/python3.7/site-packages (from bleach->nbconvert->notebook>=4.4.1->widgetsnbextension~=3.5.0->ipywidgets>=7->nglview) (0.5.1) 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=1219557163 seed_offset=0 real_seed=1219557163 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1219557163 RG_type=mt19937
Setting up score functions that will be used across parts¶
In [40]:
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 [41]:
native_pose = prs.pose_from_pdb('data/1BL0/1BL0_chainA.pdb')
core.import_pose.import_pose: File 'data/1BL0/1BL0_chainA.pdb' automatically determined to be of type PDB
We can check the amino acid sequence of the structure with a very simple command.
In [42]:
native_pose.sequence()
Out[42]:
'DAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMTEIAQKLKESNEPILYLAERYGFESQQTLTRTFKNYFDVPPHKYRMTNMQGESRFLHPL'
We can also assign the correct secondary structure.
In [43]:
DSSP = prs.rosetta.protocols.moves.DsspMover()
DSSP.apply(native_pose) # populates the pose's Pose.secstruct
protocols.DsspMover: LHHHHHHHHHHHHLLLLLLLLLHHHHHHLLLLHHHHHHHHHHHHLLLHHHHHHHHHHHHHHHHHHHLLLLHHHHHHHHLLLLHHHHHHHHHHHHLLLHHHHHLLLLLLLLLLLLLL
Hint: The amino acids are also called residues!¶
Let's view more information about the first residue of the protein.
In [44]:
print(native_pose.residue(1))
Residue 1: ASP:NtermProteinFull (ASP, D): Base: ASP Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS SC_ORBITALS POLAR CHARGED NEGATIVE_CHARGE METALBINDING ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O 1H 2H 3H HA Side-chain atoms: CB CG OD1 OD2 1HB 2HB Atom Coordinates: N : 0.229, 36.012, 74.172 CA : 0.041, 35.606, 75.594 C : -0.096, 36.849, 76.498 O : -0.951, 36.895, 77.382 CB : 1.225, 34.718, 76.092 CG : 2.159, 34.156, 74.999 OD1: 1.688, 33.361, 74.151 OD2: 3.378, 34.497, 75.007 1H : 1.056, 35.74, 73.68 2H : -0.43, 35.723, 73.478 3H : 0.251, 36.981, 73.928 HA : -0.884, 35.037, 75.696 1HB : 1.839, 35.199, 76.854 2HB : 0.67, 33.892, 76.539 Mirrored relative to coordinates in ResidueType: FALSE
In [45]:
pose = prs.pose_from_sequence(native_pose.sequence())
test_pose = prs.Pose()
test_pose.assign(pose)
test_pose.pdb_info().name('Linearized Pose')
In [46]:
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 [47]:
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_full_atom = prs.SwitchResidueTypeSetMover('fa_standard')
In [48]:
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: 46662.238534584234 Centroid Score: 454.1228630783549
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 [49]:
# here write the code to visualize the centroid only structure and print the information of the 1st residue
to_centroid = prs.SwitchResidueTypeSetMover('centroid')
to_centroid.apply(test_pose)
print(test_pose.residue(1))
print('Centroid Score:', scorefxn_low(test_pose))
view = ngl.show_rosetta(test_pose)
view # zoom in to see the atoms!
core.util.switchresiduetypeset: [ WARNING ] When switching to a centroid ResidueTypeSet: Pose already contains centroid ResidueTypes. Residue 1: ASP:NtermProteinFull (ASP, D): Base: ASP Properties: POLYMER PROTEIN CANONICAL_AA LOWER_TERMINUS POLAR CHARGED NEGATIVE_CHARGE ALPHA_AA L_AA Variant types: LOWER_TERMINUS_VARIANT Main-chain atoms: N CA C Backbone atoms: N CA C O H Side-chain atoms: CB CEN Atom Coordinates: N : 0, 0, 0 CA : 1.458, 0, 0 C : 2.00885, 1.42017, 0 O : 1.25096, 2.39022, -2.58987e-16 CB : 1.99452, -0.771871, -1.208 CEN: 2.35051, -1.69379, -1.45468 H : -0.5, -0.433013, -0.75 Mirrored relative to coordinates in ResidueType: FALSE Centroid Score: 454.1228630783549
Setting up the folding algorithm¶
In [50]:
# Loading the files with the pre-computed fragmets
long_frag_filename = 'data/1BL0/9_fragments.txt'
long_frag_length = 9
short_frag_filename = 'data/1BL0/3_fragments.txt'
short_frag_length = 3
# Defining parameters of the folding algorithm
long_inserts=5 # How many 9-fragment pieces to insest during the search
short_inserts=10 # How many 3-fragment pieces to insest during the search
kT = 3.0 # Simulated Annealing temperature
cycles = 1000 # How many cycles of Monte Carlo search to run
jobs = 50 # How many trajectories in parallel to compute.
job_output = 'outputs/1BL0/decoy' # The prefix of the filenames to store the results
Loading the fragmets¶
In [51]:
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/1BL0/9_fragments.txt core.fragments.ConstantLengthFragSet: finished reading top 200 3mer fragments from file data/1BL0/3_fragments.txt
Q: How many 9-mer and 3-mer fragments do we have in our database?¶
200 each
Setting up the MonteCarlo search¶
In [52]:
# Making sure the structure is in centroid-only mode for the search
test_pose.assign(pose)
to_centroid.apply(test_pose)
In [53]:
# 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 [54]:
mc = prs.MonteCarlo(test_pose, scorefxn_low, kT)
trial = prs.TrialMover(folding_mover, mc)
In [55]:
# 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 [56]:
fast_relax_mover = prs.rosetta.protocols.relax.FastRelax(scorefxn_high)
Running the folding algorithm!¶
In [57]:
scores = [0] * (jobs + 1)
scores[0] = scorefxn_low(test_pose)
In [58]:
if os.path.isdir(os.path.dirname(job_output)):
shutil.rmtree(os.path.dirname(job_output), ignore_errors=True)
os.makedirs(os.path.dirname(job_output))
jd = prs.PyJobDistributor(job_output, nstruct=jobs, scorefxn=scorefxn_high)
Working on decoy: outputs/1BL0/decoy_13.pdb
In [59]:
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 71537.5 0 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71537.5 0 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7105.12 0 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2376 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 146.749 0 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 162.691 0 0 0.02805 protocols.relax.FastRelax: CMD: min -244.724 2.51497 2.51497 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -244.724 2.51497 2.51497 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -91.4652 2.51497 2.51497 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2599 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -130.324 2.51497 2.51497 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -123.473 2.51497 2.51497 0.154 protocols.relax.FastRelax: CMD: min -186.668 3.24534 3.24534 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -186.668 3.24534 3.24534 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -139.011 3.24534 3.24534 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2528 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -142.588 3.24534 3.24534 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -138.888 3.24534 3.24534 0.31955 protocols.relax.FastRelax: CMD: min -151.605 3.22682 3.22682 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -151.605 3.22682 3.22682 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -100.122 3.22682 3.22682 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2256 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -101.399 3.22682 3.22682 0.55 protocols.relax.FastRelax: CMD: min -169.287 3.81372 3.81372 0.55 protocols.relax.FastRelax: MRP: 0 -169.287 -169.287 3.81372 3.81372 protocols.relax.FastRelax: CMD: accept_to_best -169.287 3.81372 3.81372 0.55 protocols.relax.FastRelax: CMD: endrepeat -169.287 3.81372 3.81372 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -169.287 3.81372 3.81372 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -238.819 3.81372 3.81372 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2693 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.599 3.81372 3.81372 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -247.816 3.81372 3.81372 0.02805 protocols.relax.FastRelax: CMD: min -304.75 4.48992 4.48992 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -304.75 4.48992 4.48992 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -178.066 4.48992 4.48992 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3327 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -195.577 4.48992 4.48992 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -188.765 4.48992 4.48992 0.154 protocols.relax.FastRelax: CMD: min -242.489 4.41478 4.41478 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -242.489 4.41478 4.41478 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -195.147 4.41478 4.41478 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3026 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.9 4.41478 4.41478 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -191.223 4.41478 4.41478 0.31955 protocols.relax.FastRelax: CMD: min -201.248 4.33548 4.33548 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -201.248 4.33548 4.33548 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -151.798 4.33548 4.33548 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2500 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -151.876 4.33548 4.33548 0.55 protocols.relax.FastRelax: CMD: min -179.411 4.31489 4.31489 0.55 protocols.relax.FastRelax: MRP: 1 -179.411 -179.411 4.31489 4.31489 protocols.relax.FastRelax: CMD: accept_to_best -179.411 4.31489 4.31489 0.55 protocols.relax.FastRelax: CMD: endrepeat -179.411 4.31489 4.31489 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -179.411 4.31489 4.31489 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -251.17 4.31489 4.31489 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2673 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.406 4.31489 4.31489 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -256.386 4.31489 4.31489 0.02805 protocols.relax.FastRelax: CMD: min -308.921 4.82248 4.82248 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -308.921 4.82248 4.82248 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -178.577 4.82248 4.82248 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3363 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.706 4.82248 4.82248 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -182.892 4.82248 4.82248 0.154 protocols.relax.FastRelax: CMD: min -238.109 4.67511 4.67511 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -238.109 4.67511 4.67511 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -192.093 4.67511 4.67511 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3058 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.126 4.67511 4.67511 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -189.586 4.67511 4.67511 0.31955 protocols.relax.FastRelax: CMD: min -203.135 4.54317 4.54317 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -203.135 4.54317 4.54317 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -156.899 4.54317 4.54317 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2629 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -157.345 4.54317 4.54317 0.55 protocols.relax.FastRelax: CMD: min -180.185 4.69732 4.69732 0.55 protocols.relax.FastRelax: MRP: 2 -180.185 -180.185 4.69732 4.69732 protocols.relax.FastRelax: CMD: accept_to_best -180.185 4.69732 4.69732 0.55 protocols.relax.FastRelax: CMD: endrepeat -180.185 4.69732 4.69732 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -180.185 4.69732 4.69732 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -250.553 4.69732 4.69732 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3081 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -263.277 4.69732 4.69732 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -259.698 4.69732 4.69732 0.02805 protocols.relax.FastRelax: CMD: min -306.262 5.01051 5.01051 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -306.262 5.01051 5.01051 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -193.508 5.01051 5.01051 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3317 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.266 5.01051 5.01051 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -204.401 5.01051 5.01051 0.154 protocols.relax.FastRelax: CMD: min -248.019 4.94856 4.94856 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -248.019 4.94856 4.94856 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -203.88 4.94856 4.94856 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3072 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -204.187 4.94856 4.94856 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -200.782 4.94856 4.94856 0.31955 protocols.relax.FastRelax: CMD: min -210.583 4.89641 4.89641 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -210.583 4.89641 4.89641 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -162.258 4.89641 4.89641 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2892 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -163.417 4.89641 4.89641 0.55 protocols.relax.FastRelax: CMD: min -186.121 4.74091 4.74091 0.55 protocols.relax.FastRelax: MRP: 3 -186.121 -186.121 4.74091 4.74091 protocols.relax.FastRelax: CMD: accept_to_best -186.121 4.74091 4.74091 0.55 protocols.relax.FastRelax: CMD: endrepeat -186.121 4.74091 4.74091 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -186.121 4.74091 4.74091 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -255.906 4.74091 4.74091 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3058 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -266.924 4.74091 4.74091 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -262.449 4.74091 4.74091 0.02805 protocols.relax.FastRelax: CMD: min -301.972 4.80754 4.80754 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -301.972 4.80754 4.80754 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -206.856 4.80754 4.80754 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3216 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.573 4.80754 4.80754 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -216.901 4.80754 4.80754 0.154 protocols.relax.FastRelax: CMD: min -245.294 4.84939 4.84939 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -245.294 4.84939 4.84939 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -202.215 4.84939 4.84939 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2709 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.573 4.84939 4.84939 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -206.64 4.84939 4.84939 0.31955 protocols.relax.FastRelax: CMD: min -214.567 4.76034 4.76034 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -214.567 4.76034 4.76034 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -172.119 4.76034 4.76034 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2724 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -171.391 4.76034 4.76034 0.55 protocols.relax.FastRelax: CMD: min -188.433 5.02287 5.02287 0.55 protocols.relax.FastRelax: MRP: 4 -188.433 -188.433 5.02287 5.02287 protocols.relax.FastRelax: CMD: accept_to_best -188.433 5.02287 5.02287 0.55 protocols.relax.FastRelax: CMD: endrepeat -188.433 5.02287 5.02287 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_37.pdb protocols.relax.FastRelax: CMD: repeat 77553.2 12.6373 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 77553.2 12.6373 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6832.45 12.6373 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3332 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -95.7537 12.6373 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -70.6628 12.6373 0 0.02805 protocols.relax.FastRelax: CMD: min -289.04 13.5426 2.98242 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -289.04 13.5426 2.98242 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -38.8941 13.5426 2.98242 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3754 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -144.899 13.5426 2.98242 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -134.135 13.5426 2.98242 0.154 protocols.relax.FastRelax: CMD: min -272.265 13.7464 3.05511 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -272.265 13.7464 3.05511 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -229.511 13.7464 3.05511 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3493 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.555 13.7464 3.05511 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -230.244 13.7464 3.05511 0.31955 protocols.relax.FastRelax: CMD: min -244.879 13.8946 3.15737 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.879 13.8946 3.15737 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -203.807 13.8946 3.15737 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3047 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.824 13.8946 3.15737 0.55 protocols.relax.FastRelax: CMD: min -237.459 14.1709 3.50557 0.55 protocols.relax.FastRelax: MRP: 0 -237.459 -237.459 14.1709 3.50557 protocols.relax.FastRelax: CMD: accept_to_best -237.459 14.1709 3.50557 0.55 protocols.relax.FastRelax: CMD: endrepeat -237.459 14.1709 3.50557 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -237.459 14.1709 3.50557 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -299.168 14.1709 3.50557 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3815 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -308.623 14.1709 3.50557 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -305.46 14.1709 3.50557 0.02805 protocols.relax.FastRelax: CMD: min -352.814 13.697 3.10591 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -352.814 13.697 3.10591 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -227.883 13.697 3.10591 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3676 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -253.07 13.697 3.10591 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -247.156 13.697 3.10591 0.154 protocols.relax.FastRelax: CMD: min -302.318 13.8964 3.24877 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -302.318 13.8964 3.24877 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -262.254 13.8964 3.24877 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3458 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -262.969 13.8964 3.24877 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -259.903 13.8964 3.24877 0.31955 protocols.relax.FastRelax: CMD: min -271.733 13.8962 3.20441 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -271.733 13.8962 3.20441 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -234.314 13.8962 3.20441 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3322 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.501 13.8962 3.20441 0.55 protocols.relax.FastRelax: CMD: min -246.289 14.1134 3.42513 0.55 protocols.relax.FastRelax: MRP: 1 -246.289 -246.289 14.1134 3.42513 protocols.relax.FastRelax: CMD: accept_to_best -246.289 14.1134 3.42513 0.55 protocols.relax.FastRelax: CMD: endrepeat -246.289 14.1134 3.42513 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -246.289 14.1134 3.42513 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -307.387 14.1134 3.42513 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3779 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -316.584 14.1134 3.42513 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -314.274 14.1134 3.42513 0.02805 protocols.relax.FastRelax: CMD: min -358.06 13.6136 3.06178 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -358.06 13.6136 3.06178 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -223.215 13.6136 3.06178 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3539 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.607 13.6136 3.06178 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -237.198 13.6136 3.06178 0.154 protocols.relax.FastRelax: CMD: min -302.915 13.9386 3.33257 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -302.915 13.9386 3.33257 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -261.67 13.9386 3.33257 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3410 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -262.681 13.9386 3.33257 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -259.485 13.9386 3.33257 0.31955 protocols.relax.FastRelax: CMD: min -269.235 14.0081 3.35077 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -269.235 14.0081 3.35077 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -226.232 14.0081 3.35077 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3248 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.254 14.0081 3.35077 0.55 protocols.relax.FastRelax: CMD: min -247.936 13.9848 3.24528 0.55 protocols.relax.FastRelax: MRP: 2 -247.936 -247.936 13.9848 3.24528 protocols.relax.FastRelax: CMD: accept_to_best -247.936 13.9848 3.24528 0.55 protocols.relax.FastRelax: CMD: endrepeat -247.936 13.9848 3.24528 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -247.936 13.9848 3.24528 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -309.53 13.9848 3.24528 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3489 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -319.169 13.9848 3.24528 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -317.33 13.9848 3.24528 0.02805 protocols.relax.FastRelax: CMD: min -358.549 13.6681 3.17179 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -358.549 13.6681 3.17179 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -231.997 13.6681 3.17179 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3516 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -254.146 13.6681 3.17179 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -247.272 13.6681 3.17179 0.154 protocols.relax.FastRelax: CMD: min -305.301 13.7937 3.09436 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -305.301 13.7937 3.09436 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -266.26 13.7937 3.09436 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3196 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -267.215 13.7937 3.09436 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -264.166 13.7937 3.09436 0.31955 protocols.relax.FastRelax: CMD: min -274.244 13.8675 3.10176 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -274.244 13.8675 3.10176 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -234.669 13.8675 3.10176 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3128 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.165 13.8675 3.10176 0.55 protocols.relax.FastRelax: CMD: min -248.587 14.0082 3.26564 0.55 protocols.relax.FastRelax: MRP: 3 -248.587 -248.587 14.0082 3.26564 protocols.relax.FastRelax: CMD: accept_to_best -248.587 14.0082 3.26564 0.55 protocols.relax.FastRelax: CMD: endrepeat -248.587 14.0082 3.26564 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -248.587 14.0082 3.26564 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -310.516 14.0082 3.26564 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3493 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -320.302 14.0082 3.26564 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -318.493 14.0082 3.26564 0.02805 protocols.relax.FastRelax: CMD: min -351.623 13.5631 2.91375 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -351.623 13.5631 2.91375 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -249.788 13.5631 2.91375 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3351 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -271.722 13.5631 2.91375 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -266.584 13.5631 2.91375 0.154 protocols.relax.FastRelax: CMD: min -306.75 13.8682 3.21102 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -306.75 13.8682 3.21102 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -268.907 13.8682 3.21102 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3156 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.189 13.8682 3.21102 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -266.199 13.8682 3.21102 0.31955 protocols.relax.FastRelax: CMD: min -274.914 13.8786 3.15552 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -274.914 13.8786 3.15552 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -236.075 13.8786 3.15552 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3007 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.704 13.8786 3.15552 0.55 protocols.relax.FastRelax: CMD: min -248.584 14.0078 3.26459 0.55 protocols.relax.FastRelax: MRP: 4 -248.584 -248.587 14.0082 3.26564 protocols.relax.FastRelax: CMD: accept_to_best -248.584 14.0078 3.26459 0.55 protocols.relax.FastRelax: CMD: endrepeat -248.584 14.0078 3.26459 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_35.pdb protocols.relax.FastRelax: CMD: repeat 70468.2 13.1412 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70468.2 13.1412 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7223.99 13.1412 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2438 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.6614 13.1412 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -75.0789 13.1412 0 0.02805 protocols.relax.FastRelax: CMD: min -237.721 13.0438 1.52152 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -237.721 13.0438 1.52152 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -122.002 13.0438 1.52152 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2199 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -157.99 13.0438 1.52152 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -152.294 13.0438 1.52152 0.154 protocols.relax.FastRelax: CMD: min -235.042 12.7819 1.53867 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -235.042 12.7819 1.53867 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -196.657 12.7819 1.53867 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2364 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.425 12.7819 1.53867 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -194.515 12.7819 1.53867 0.31955 protocols.relax.FastRelax: CMD: min -201.881 12.7958 1.56367 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -201.881 12.7958 1.56367 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -162.136 12.7958 1.56367 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2190 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -162.285 12.7958 1.56367 0.55 protocols.relax.FastRelax: CMD: min -197.048 12.5727 2.03721 0.55 protocols.relax.FastRelax: MRP: 0 -197.048 -197.048 12.5727 2.03721 protocols.relax.FastRelax: CMD: accept_to_best -197.048 12.5727 2.03721 0.55 protocols.relax.FastRelax: CMD: endrepeat -197.048 12.5727 2.03721 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -197.048 12.5727 2.03721 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -255.46 12.5727 2.03721 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2294 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -265.694 12.5727 2.03721 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -263.317 12.5727 2.03721 0.02805 protocols.relax.FastRelax: CMD: min -301.145 12.5267 2.03424 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -301.145 12.5267 2.03424 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -205.182 12.5267 2.03424 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2520 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.385 12.5267 2.03424 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -218.192 12.5267 2.03424 0.154 protocols.relax.FastRelax: CMD: min -262.196 12.4837 2.1864 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.196 12.4837 2.1864 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -225.117 12.4837 2.1864 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2435 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.364 12.4837 2.1864 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -222.475 12.4837 2.1864 0.31955 protocols.relax.FastRelax: CMD: min -230.733 12.4909 2.19373 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -230.733 12.4909 2.19373 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -192.125 12.4909 2.19373 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2247 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -192.195 12.4909 2.19373 0.55 protocols.relax.FastRelax: CMD: min -209.301 12.5518 2.16018 0.55 protocols.relax.FastRelax: MRP: 1 -209.301 -209.301 12.5518 2.16018 protocols.relax.FastRelax: CMD: accept_to_best -209.301 12.5518 2.16018 0.55 protocols.relax.FastRelax: CMD: endrepeat -209.301 12.5518 2.16018 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -209.301 12.5518 2.16018 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -270.326 12.5518 2.16018 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2361 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -274.147 12.5518 2.16018 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -272.885 12.5518 2.16018 0.02805 protocols.relax.FastRelax: CMD: min -318.57 12.6168 2.42067 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -318.57 12.6168 2.42067 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -212.579 12.6168 2.42067 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2751 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.276 12.6168 2.42067 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -214.945 12.6168 2.42067 0.154 protocols.relax.FastRelax: CMD: min -263.706 12.5613 2.30559 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -263.706 12.5613 2.30559 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -224.906 12.5613 2.30559 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2443 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.94 12.5613 2.30559 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -222.949 12.5613 2.30559 0.31955 protocols.relax.FastRelax: CMD: min -234.551 12.517 2.27118 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -234.551 12.517 2.27118 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -195.988 12.517 2.27118 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2290 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -196.332 12.517 2.27118 0.55 protocols.relax.FastRelax: CMD: min -211.613 12.5545 2.18385 0.55 protocols.relax.FastRelax: MRP: 2 -211.613 -211.613 12.5545 2.18385 protocols.relax.FastRelax: CMD: accept_to_best -211.613 12.5545 2.18385 0.55 protocols.relax.FastRelax: CMD: endrepeat -211.613 12.5545 2.18385 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -211.613 12.5545 2.18385 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -273.042 12.5545 2.18385 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2361 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.565 12.5545 2.18385 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -276.459 12.5545 2.18385 0.02805 protocols.relax.FastRelax: CMD: min -322.888 12.5157 2.44072 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -322.888 12.5157 2.44072 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -212.618 12.5157 2.44072 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2738 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.856 12.5157 2.44072 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -216.224 12.5157 2.44072 0.154 protocols.relax.FastRelax: CMD: min -270.383 12.5025 2.27924 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.383 12.5025 2.27924 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -232.013 12.5025 2.27924 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2427 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.452 12.5025 2.27924 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.499 12.5025 2.27924 0.31955 protocols.relax.FastRelax: CMD: min -235.245 12.5052 2.22453 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.245 12.5052 2.22453 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -194.343 12.5052 2.22453 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2297 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.416 12.5052 2.22453 0.55 protocols.relax.FastRelax: CMD: min -211.347 12.5616 2.17423 0.55 protocols.relax.FastRelax: MRP: 3 -211.347 -211.613 12.5545 2.18385 protocols.relax.FastRelax: CMD: accept_to_best -211.347 12.5616 2.17423 0.55 protocols.relax.FastRelax: CMD: endrepeat -211.347 12.5616 2.17423 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -211.347 12.5616 2.17423 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -272.91 12.5616 2.17423 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2438 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.424 12.5616 2.17423 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -276.312 12.5616 2.17423 0.02805 protocols.relax.FastRelax: CMD: min -318.217 12.536 2.27133 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -318.217 12.536 2.27133 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -218.566 12.536 2.27133 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2771 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.323 12.536 2.27133 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -221.357 12.536 2.27133 0.154 protocols.relax.FastRelax: CMD: min -265.608 12.5003 2.19703 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -265.608 12.5003 2.19703 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -224.461 12.5003 2.19703 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2475 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.093 12.5003 2.19703 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -221.907 12.5003 2.19703 0.31955 protocols.relax.FastRelax: CMD: min -236.691 12.4919 2.2324 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -236.691 12.4919 2.2324 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -198.975 12.4919 2.2324 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2257 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.079 12.4919 2.2324 0.55 protocols.relax.FastRelax: CMD: min -211.335 12.5609 2.17533 0.55 protocols.relax.FastRelax: MRP: 4 -211.335 -211.613 12.5545 2.18385 protocols.relax.FastRelax: CMD: accept_to_best -211.335 12.5609 2.17533 0.55 protocols.relax.FastRelax: CMD: endrepeat -211.335 12.5609 2.17533 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_6.pdb protocols.relax.FastRelax: CMD: repeat 69163.5 13.4588 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69163.5 13.4588 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7235.11 13.4588 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2639 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -70.221 13.4588 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -35.875 13.4588 0 0.02805 protocols.relax.FastRelax: CMD: min -279.637 13.2493 2.00837 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -279.637 13.2493 2.00837 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -119.106 13.2493 2.00837 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2950 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -138.789 13.2493 2.00837 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -128.786 13.2493 2.00837 0.154 protocols.relax.FastRelax: CMD: min -247.593 13.4217 2.41971 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -247.593 13.4217 2.41971 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -200.749 13.4217 2.41971 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2803 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.581 13.4217 2.41971 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -199.957 13.4217 2.41971 0.31955 protocols.relax.FastRelax: CMD: min -213.385 13.4626 2.43639 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -213.385 13.4626 2.43639 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -167.954 13.4626 2.43639 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2766 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -168.295 13.4626 2.43639 0.55 protocols.relax.FastRelax: CMD: min -204.924 13.5877 2.55681 0.55 protocols.relax.FastRelax: MRP: 0 -204.924 -204.924 13.5877 2.55681 protocols.relax.FastRelax: CMD: accept_to_best -204.924 13.5877 2.55681 0.55 protocols.relax.FastRelax: CMD: endrepeat -204.924 13.5877 2.55681 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -204.924 13.5877 2.55681 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -266.208 13.5877 2.55681 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3046 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -278.018 13.5877 2.55681 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -275.728 13.5877 2.55681 0.02805 protocols.relax.FastRelax: CMD: min -348.326 13.413 2.57271 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -348.326 13.413 2.57271 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -170.888 13.413 2.57271 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3456 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.695 13.413 2.57271 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -199.453 13.413 2.57271 0.154 protocols.relax.FastRelax: CMD: min -288.147 13.456 2.54396 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -288.147 13.456 2.54396 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -243.004 13.456 2.54396 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2910 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.183 13.456 2.54396 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -234.595 13.456 2.54396 0.31955 protocols.relax.FastRelax: CMD: min -258.121 13.4306 2.4975 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -258.121 13.4306 2.4975 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -217.54 13.4306 2.4975 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2809 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.95 13.4306 2.4975 0.55 protocols.relax.FastRelax: CMD: min -238.292 13.4349 2.4842 0.55 protocols.relax.FastRelax: MRP: 1 -238.292 -238.292 13.4349 2.4842 protocols.relax.FastRelax: CMD: accept_to_best -238.292 13.4349 2.4842 0.55 protocols.relax.FastRelax: CMD: endrepeat -238.292 13.4349 2.4842 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -238.292 13.4349 2.4842 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -301.174 13.4349 2.4842 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3166 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -313.759 13.4349 2.4842 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.266 13.4349 2.4842 0.02805 protocols.relax.FastRelax: CMD: min -367.015 13.182 2.44537 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -367.015 13.182 2.44537 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -206.158 13.182 2.44537 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3163 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.852 13.182 2.44537 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -222.913 13.182 2.44537 0.154 protocols.relax.FastRelax: CMD: min -289.985 13.2172 2.39965 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -289.985 13.2172 2.39965 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -241.277 13.2172 2.39965 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2887 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.951 13.2172 2.39965 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -239.205 13.2172 2.39965 0.31955 protocols.relax.FastRelax: CMD: min -254.277 13.2523 2.39734 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -254.277 13.2523 2.39734 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -207.197 13.2523 2.39734 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2803 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.524 13.2523 2.39734 0.55 protocols.relax.FastRelax: CMD: min -246.103 13.1476 2.3506 0.55 protocols.relax.FastRelax: MRP: 2 -246.103 -246.103 13.1476 2.3506 protocols.relax.FastRelax: CMD: accept_to_best -246.103 13.1476 2.3506 0.55 protocols.relax.FastRelax: CMD: endrepeat -246.103 13.1476 2.3506 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -246.103 13.1476 2.3506 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -309.831 13.1476 2.3506 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3112 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -320.075 13.1476 2.3506 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -318.111 13.1476 2.3506 0.02805 protocols.relax.FastRelax: CMD: min -384.637 13.047 2.32302 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -384.637 13.047 2.32302 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -236.48 13.047 2.32302 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3381 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -247.619 13.047 2.32302 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -238.463 13.047 2.32302 0.154 protocols.relax.FastRelax: CMD: min -316.033 13.0917 2.22346 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -316.033 13.0917 2.22346 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -268.957 13.0917 2.22346 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2759 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.213 13.0917 2.22346 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -265.532 13.0917 2.22346 0.31955 protocols.relax.FastRelax: CMD: min -276.846 13.1176 2.26644 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -276.846 13.1176 2.26644 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -231.66 13.1176 2.26644 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2724 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.044 13.1176 2.26644 0.55 protocols.relax.FastRelax: CMD: min -248.693 13.1275 2.32583 0.55 protocols.relax.FastRelax: MRP: 3 -248.693 -248.693 13.1275 2.32583 protocols.relax.FastRelax: CMD: accept_to_best -248.693 13.1275 2.32583 0.55 protocols.relax.FastRelax: CMD: endrepeat -248.693 13.1275 2.32583 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -248.693 13.1275 2.32583 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -313.231 13.1275 2.32583 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3138 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -322.977 13.1275 2.32583 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -321.318 13.1275 2.32583 0.02805 protocols.relax.FastRelax: CMD: min -382.566 13.0306 2.34854 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -382.566 13.0306 2.34854 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -223.914 13.0306 2.34854 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3329 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.57 13.0306 2.34854 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -232.35 13.0306 2.34854 0.154 protocols.relax.FastRelax: CMD: min -312.768 13.1016 2.27747 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -312.768 13.1016 2.27747 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -264.752 13.1016 2.27747 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2783 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -264.952 13.1016 2.27747 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -261.183 13.1016 2.27747 0.31955 protocols.relax.FastRelax: CMD: min -275.269 13.0972 2.31073 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -275.269 13.0972 2.31073 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -228.621 13.0972 2.31073 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2725 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.392 13.0972 2.31073 0.55 protocols.relax.FastRelax: CMD: min -249.788 13.2439 2.32946 0.55 protocols.relax.FastRelax: MRP: 4 -249.788 -249.788 13.2439 2.32946 protocols.relax.FastRelax: CMD: accept_to_best -249.788 13.2439 2.32946 0.55 protocols.relax.FastRelax: CMD: endrepeat -249.788 13.2439 2.32946 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_11.pdb protocols.relax.FastRelax: CMD: repeat 71164.3 13.1283 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71164.3 13.1283 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7144.54 13.1283 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2609 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.2787 13.1283 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -77.4315 13.1283 0 0.02805 protocols.relax.FastRelax: CMD: min -252.916 11.925 3.01945 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -252.916 11.925 3.01945 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -115.291 11.925 3.01945 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2399 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -155.113 11.925 3.01945 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -148.611 11.925 3.01945 0.154 protocols.relax.FastRelax: CMD: min -223.654 12.0618 2.54459 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -223.654 12.0618 2.54459 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -180.585 12.0618 2.54459 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2469 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -182.142 12.0618 2.54459 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -178.879 12.0618 2.54459 0.31955 protocols.relax.FastRelax: CMD: min -182.328 12.0853 2.56047 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -182.328 12.0853 2.56047 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -126.285 12.0853 2.56047 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2385 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.738 12.0853 2.56047 0.55 protocols.relax.FastRelax: CMD: min -212.157 12.1424 3.11837 0.55 protocols.relax.FastRelax: MRP: 0 -212.157 -212.157 12.1424 3.11837 protocols.relax.FastRelax: CMD: accept_to_best -212.157 12.1424 3.11837 0.55 protocols.relax.FastRelax: CMD: endrepeat -212.157 12.1424 3.11837 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -212.157 12.1424 3.11837 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -275.724 12.1424 3.11837 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2726 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -285.876 12.1424 3.11837 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.251 12.1424 3.11837 0.02805 protocols.relax.FastRelax: CMD: min -337.883 12.1162 3.6689 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -337.883 12.1162 3.6689 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -215.244 12.1162 3.6689 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3087 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.987 12.1162 3.6689 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -228.408 12.1162 3.6689 0.154 protocols.relax.FastRelax: CMD: min -278.934 12.1538 3.55168 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -278.934 12.1538 3.55168 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -234.783 12.1538 3.55168 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2600 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.315 12.1538 3.55168 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -231.837 12.1538 3.55168 0.31955 protocols.relax.FastRelax: CMD: min -243.918 12.1746 3.4456 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -243.918 12.1746 3.4456 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.431 12.1746 3.4456 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2547 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.36 12.1746 3.4456 0.55 protocols.relax.FastRelax: CMD: min -226.203 12.1235 3.168 0.55 protocols.relax.FastRelax: MRP: 1 -226.203 -226.203 12.1235 3.168 protocols.relax.FastRelax: CMD: accept_to_best -226.203 12.1235 3.168 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.203 12.1235 3.168 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.203 12.1235 3.168 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -290.368 12.1235 3.168 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2798 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.599 12.1235 3.168 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -293.603 12.1235 3.168 0.02805 protocols.relax.FastRelax: CMD: min -344.551 12.2302 3.70813 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -344.551 12.2302 3.70813 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -190.537 12.2302 3.70813 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3072 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.714 12.2302 3.70813 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -214.905 12.2302 3.70813 0.154 protocols.relax.FastRelax: CMD: min -280.534 12.285 3.61887 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -280.534 12.285 3.61887 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -233.946 12.285 3.61887 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2953 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.045 12.285 3.61887 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -232.372 12.285 3.61887 0.31955 protocols.relax.FastRelax: CMD: min -249.132 12.3199 3.35478 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -249.132 12.3199 3.35478 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -206.045 12.3199 3.35478 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2596 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -206.325 12.3199 3.35478 0.55 protocols.relax.FastRelax: CMD: min -227.084 12.5242 3.54678 0.55 protocols.relax.FastRelax: MRP: 2 -227.084 -227.084 12.5242 3.54678 protocols.relax.FastRelax: CMD: accept_to_best -227.084 12.5242 3.54678 0.55 protocols.relax.FastRelax: CMD: endrepeat -227.084 12.5242 3.54678 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -227.084 12.5242 3.54678 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -294.522 12.5242 3.54678 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3001 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -302.419 12.5242 3.54678 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -300.084 12.5242 3.54678 0.02805 protocols.relax.FastRelax: CMD: min -367.859 12.5549 4.34292 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -367.859 12.5549 4.34292 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.304 12.5549 4.34292 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3086 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.491 12.5549 4.34292 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -220.321 12.5549 4.34292 0.154 protocols.relax.FastRelax: CMD: min -281.257 12.5039 3.12946 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -281.257 12.5039 3.12946 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -228.33 12.5039 3.12946 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2843 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.632 12.5039 3.12946 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -227.664 12.5039 3.12946 0.31955 protocols.relax.FastRelax: CMD: min -245.795 12.6112 3.12037 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -245.795 12.6112 3.12037 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -196.933 12.6112 3.12037 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2866 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.796 12.6112 3.12037 0.55 protocols.relax.FastRelax: CMD: min -226.875 12.9614 3.27484 0.55 protocols.relax.FastRelax: MRP: 3 -226.875 -227.084 12.5242 3.54678 protocols.relax.FastRelax: CMD: accept_to_best -226.875 12.9614 3.27484 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.875 12.9614 3.27484 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.875 12.9614 3.27484 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -295.758 12.9614 3.27484 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3050 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -304.849 12.9614 3.27484 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -303.06 12.9614 3.27484 0.02805 protocols.relax.FastRelax: CMD: min -353.796 12.7805 3.54925 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -353.796 12.7805 3.54925 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -203.394 12.7805 3.54925 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3130 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.493 12.7805 3.54925 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -223.036 12.7805 3.54925 0.154 protocols.relax.FastRelax: CMD: min -283.551 12.8382 3.42207 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -283.551 12.8382 3.42207 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -236.208 12.8382 3.42207 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2981 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.768 12.8382 3.42207 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -237.162 12.8382 3.42207 0.31955 protocols.relax.FastRelax: CMD: min -251.327 12.9308 3.43415 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -251.327 12.9308 3.43415 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -207.538 12.9308 3.43415 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2792 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.035 12.9308 3.43415 0.55 protocols.relax.FastRelax: CMD: min -221.163 12.9718 3.41018 0.55 protocols.relax.FastRelax: MRP: 4 -221.163 -227.084 12.5242 3.54678 protocols.relax.FastRelax: CMD: accept_to_best -221.163 12.9718 3.41018 0.55 protocols.relax.FastRelax: CMD: endrepeat -221.163 12.9718 3.41018 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_18.pdb protocols.relax.FastRelax: CMD: repeat 79430.4 15.9609 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 79430.4 15.9609 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7319.67 15.9609 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2872 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -30.7081 15.9609 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 10.1154 15.9609 0 0.02805 protocols.relax.FastRelax: CMD: min -244.372 17.0909 4.84107 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -244.372 17.0909 4.84107 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -77.3907 17.0909 4.84107 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2881 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.015 17.0909 4.84107 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -101.283 17.0909 4.84107 0.154 protocols.relax.FastRelax: CMD: min -177.065 17.3439 5.13846 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -177.065 17.3439 5.13846 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -123.584 17.3439 5.13846 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2343 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -125.505 17.3439 5.13846 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -121.256 17.3439 5.13846 0.31955 protocols.relax.FastRelax: CMD: min -152.602 18.1679 5.76087 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -152.602 18.1679 5.76087 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -111.652 18.1679 5.76087 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2317 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.67 18.1679 5.76087 0.55 protocols.relax.FastRelax: CMD: min -162.317 17.2855 6.89065 0.55 protocols.relax.FastRelax: MRP: 0 -162.317 -162.317 17.2855 6.89065 protocols.relax.FastRelax: CMD: accept_to_best -162.317 17.2855 6.89065 0.55 protocols.relax.FastRelax: CMD: endrepeat -162.317 17.2855 6.89065 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -162.317 17.2855 6.89065 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -229.997 17.2855 6.89065 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2774 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -248.913 17.2855 6.89065 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -245.216 17.2855 6.89065 0.02805 protocols.relax.FastRelax: CMD: min -296.994 16.4281 7.21037 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -296.994 16.4281 7.21037 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -153.496 16.4281 7.21037 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2819 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -175.225 16.4281 7.21037 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -167.525 16.4281 7.21037 0.154 protocols.relax.FastRelax: CMD: min -229.885 17.1297 6.91851 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -229.885 17.1297 6.91851 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -182.067 17.1297 6.91851 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2484 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.817 17.1297 6.91851 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -181.164 17.1297 6.91851 0.31955 protocols.relax.FastRelax: CMD: min -196.144 17.3071 6.88814 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -196.144 17.3071 6.88814 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -151.218 17.3071 6.88814 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2461 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -152.413 17.3071 6.88814 0.55 protocols.relax.FastRelax: CMD: min -180.034 17.5493 7.30985 0.55 protocols.relax.FastRelax: MRP: 1 -180.034 -180.034 17.5493 7.30985 protocols.relax.FastRelax: CMD: accept_to_best -180.034 17.5493 7.30985 0.55 protocols.relax.FastRelax: CMD: endrepeat -180.034 17.5493 7.30985 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -180.034 17.5493 7.30985 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -247.869 17.5493 7.30985 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2839 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -260.615 17.5493 7.30985 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -258.502 17.5493 7.30985 0.02805 protocols.relax.FastRelax: CMD: min -305.11 16.8756 7.3611 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -305.11 16.8756 7.3611 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -173.121 16.8756 7.3611 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2916 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.924 16.8756 7.3611 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -182.302 16.8756 7.3611 0.154 protocols.relax.FastRelax: CMD: min -239.244 16.8083 7.59381 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -239.244 16.8083 7.59381 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -195.393 16.8083 7.59381 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2632 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.245 16.8083 7.59381 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -193.838 16.8083 7.59381 0.31955 protocols.relax.FastRelax: CMD: min -206.53 17.0011 7.69762 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -206.53 17.0011 7.69762 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -163.049 17.0011 7.69762 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2516 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -163.735 17.0011 7.69762 0.55 protocols.relax.FastRelax: CMD: min -186.153 17.3531 7.30775 0.55 protocols.relax.FastRelax: MRP: 2 -186.153 -186.153 17.3531 7.30775 protocols.relax.FastRelax: CMD: accept_to_best -186.153 17.3531 7.30775 0.55 protocols.relax.FastRelax: CMD: endrepeat -186.153 17.3531 7.30775 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -186.153 17.3531 7.30775 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -253.566 17.3531 7.30775 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2780 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -261.112 17.3531 7.30775 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -258.805 17.3531 7.30775 0.02805 protocols.relax.FastRelax: CMD: min -288.064 17.2587 7.22703 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -288.064 17.2587 7.22703 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -168.469 17.2587 7.22703 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2711 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.771 17.2587 7.22703 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -194.205 17.2587 7.22703 0.154 protocols.relax.FastRelax: CMD: min -240.444 17.0443 7.30441 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -240.444 17.0443 7.30441 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -200.92 17.0443 7.30441 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2467 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.901 17.0443 7.30441 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -200.873 17.0443 7.30441 0.31955 protocols.relax.FastRelax: CMD: min -209.871 17.0608 7.30718 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -209.871 17.0608 7.30718 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -168.406 17.0608 7.30718 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2371 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -168.872 17.0608 7.30718 0.55 protocols.relax.FastRelax: CMD: min -185.122 17.3628 7.42141 0.55 protocols.relax.FastRelax: MRP: 3 -185.122 -186.153 17.3531 7.30775 protocols.relax.FastRelax: CMD: accept_to_best -185.122 17.3628 7.42141 0.55 protocols.relax.FastRelax: CMD: endrepeat -185.122 17.3628 7.42141 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -185.122 17.3628 7.42141 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -253.592 17.3628 7.42141 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2771 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -263.545 17.3628 7.42141 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -259.599 17.3628 7.42141 0.02805 protocols.relax.FastRelax: CMD: min -299.586 17.084 7.43194 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -299.586 17.084 7.43194 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -174.424 17.084 7.43194 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2905 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.479 17.084 7.43194 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -202.629 17.084 7.43194 0.154 protocols.relax.FastRelax: CMD: min -249.878 16.7943 7.56017 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -249.878 16.7943 7.56017 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -204.877 16.7943 7.56017 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2536 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.087 16.7943 7.56017 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -201.53 16.7943 7.56017 0.31955 protocols.relax.FastRelax: CMD: min -214.06 16.7881 7.538 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -214.06 16.7881 7.538 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -169.653 16.7881 7.538 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2559 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -169.832 16.7881 7.538 0.55 protocols.relax.FastRelax: CMD: min -190.69 17.4228 8.33879 0.55 protocols.relax.FastRelax: MRP: 4 -190.69 -190.69 17.4228 8.33879 protocols.relax.FastRelax: CMD: accept_to_best -190.69 17.4228 8.33879 0.55 protocols.relax.FastRelax: CMD: endrepeat -190.69 17.4228 8.33879 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_28.pdb protocols.relax.FastRelax: CMD: repeat 70799.2 11.4943 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70799.2 11.4943 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7594.93 11.4943 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2734 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 76.8847 11.4943 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 92.963 11.4943 0 0.02805 protocols.relax.FastRelax: CMD: min -231.249 11.7989 3.41807 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -231.249 11.7989 3.41807 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -71.7205 11.7989 3.41807 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2425 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -93.6763 11.7989 3.41807 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -85.1512 11.7989 3.41807 0.154 protocols.relax.FastRelax: CMD: min -233.894 11.823 3.19593 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -233.894 11.823 3.19593 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -192.243 11.823 3.19593 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2579 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.582 11.823 3.19593 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -191.532 11.823 3.19593 0.31955 protocols.relax.FastRelax: CMD: min -205.374 11.7952 3.33848 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -205.374 11.7952 3.33848 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -165.999 11.7952 3.33848 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2366 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -166.263 11.7952 3.33848 0.55 protocols.relax.FastRelax: CMD: min -201.585 11.8261 3.47085 0.55 protocols.relax.FastRelax: MRP: 0 -201.585 -201.585 11.8261 3.47085 protocols.relax.FastRelax: CMD: accept_to_best -201.585 11.8261 3.47085 0.55 protocols.relax.FastRelax: CMD: endrepeat -201.585 11.8261 3.47085 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -201.585 11.8261 3.47085 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -257.769 11.8261 3.47085 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2609 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -274.412 11.8261 3.47085 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -272.183 11.8261 3.47085 0.02805 protocols.relax.FastRelax: CMD: min -315.907 11.8298 3.84574 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -315.907 11.8298 3.84574 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -184.78 11.8298 3.84574 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2579 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.085 11.8298 3.84574 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -198.508 11.8298 3.84574 0.154 protocols.relax.FastRelax: CMD: min -267.823 11.7944 3.85847 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -267.823 11.7944 3.85847 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -231.122 11.7944 3.85847 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2293 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.231 11.7944 3.85847 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.424 11.7944 3.85847 0.31955 protocols.relax.FastRelax: CMD: min -235.905 11.8384 3.82059 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.905 11.8384 3.82059 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -196.693 11.8384 3.82059 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2238 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.092 11.8384 3.82059 0.55 protocols.relax.FastRelax: CMD: min -223.235 11.6034 4.30023 0.55 protocols.relax.FastRelax: MRP: 1 -223.235 -223.235 11.6034 4.30023 protocols.relax.FastRelax: CMD: accept_to_best -223.235 11.6034 4.30023 0.55 protocols.relax.FastRelax: CMD: endrepeat -223.235 11.6034 4.30023 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -223.235 11.6034 4.30023 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.404 11.6034 4.30023 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2633 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -289.712 11.6034 4.30023 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -287.888 11.6034 4.30023 0.02805 protocols.relax.FastRelax: CMD: min -333.284 11.5293 4.55938 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -333.284 11.5293 4.55938 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -221.512 11.5293 4.55938 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2647 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.905 11.5293 4.55938 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -237.141 11.5293 4.55938 0.154 protocols.relax.FastRelax: CMD: min -278.341 11.6159 4.44292 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -278.341 11.6159 4.44292 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -238.211 11.6159 4.44292 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2390 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.924 11.6159 4.44292 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -235.784 11.6159 4.44292 0.31955 protocols.relax.FastRelax: CMD: min -247.099 11.6153 4.44764 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -247.099 11.6153 4.44764 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -207.086 11.6153 4.44764 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2445 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.697 11.6153 4.44764 0.55 protocols.relax.FastRelax: CMD: min -226.896 11.6014 4.45619 0.55 protocols.relax.FastRelax: MRP: 2 -226.896 -226.896 11.6014 4.45619 protocols.relax.FastRelax: CMD: accept_to_best -226.896 11.6014 4.45619 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.896 11.6014 4.45619 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.896 11.6014 4.45619 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -287.884 11.6014 4.45619 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2625 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -296.231 11.6014 4.45619 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -294.354 11.6014 4.45619 0.02805 protocols.relax.FastRelax: CMD: min -344.433 11.5621 4.69259 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -344.433 11.5621 4.69259 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -215.26 11.5621 4.69259 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2834 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.422 11.5621 4.69259 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -232.989 11.5621 4.69259 0.154 protocols.relax.FastRelax: CMD: min -282.537 11.5701 4.60107 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -282.537 11.5701 4.60107 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -238.24 11.5701 4.60107 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2620 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.382 11.5701 4.60107 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -235.965 11.5701 4.60107 0.31955 protocols.relax.FastRelax: CMD: min -249.184 11.5885 4.52275 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -249.184 11.5885 4.52275 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.67 11.5885 4.52275 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2407 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.866 11.5885 4.52275 0.55 protocols.relax.FastRelax: CMD: min -228.857 11.6071 4.57679 0.55 protocols.relax.FastRelax: MRP: 3 -228.857 -228.857 11.6071 4.57679 protocols.relax.FastRelax: CMD: accept_to_best -228.857 11.6071 4.57679 0.55 protocols.relax.FastRelax: CMD: endrepeat -228.857 11.6071 4.57679 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -228.857 11.6071 4.57679 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -289.305 11.6071 4.57679 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2774 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -302.721 11.6071 4.57679 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -300.251 11.6071 4.57679 0.02805 protocols.relax.FastRelax: CMD: min -349.007 11.4232 4.89952 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -349.007 11.4232 4.89952 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -224.177 11.4232 4.89952 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2853 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -248.551 11.4232 4.89952 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -243.026 11.4232 4.89952 0.154 protocols.relax.FastRelax: CMD: min -284.396 11.4936 4.70383 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -284.396 11.4936 4.70383 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -242.848 11.4936 4.70383 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2532 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.313 11.4936 4.70383 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -240.063 11.4936 4.70383 0.31955 protocols.relax.FastRelax: CMD: min -251.813 11.544 4.6678 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -251.813 11.544 4.6678 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -211.659 11.544 4.6678 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2480 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -212.058 11.544 4.6678 0.55 protocols.relax.FastRelax: CMD: min -230.913 11.6573 4.71316 0.55 protocols.relax.FastRelax: MRP: 4 -230.913 -230.913 11.6573 4.71316 protocols.relax.FastRelax: CMD: accept_to_best -230.913 11.6573 4.71316 0.55 protocols.relax.FastRelax: CMD: endrepeat -230.913 11.6573 4.71316 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_22.pdb protocols.relax.FastRelax: CMD: repeat 63528.7 15.0325 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 63528.7 15.0325 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6374.64 15.0325 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2524 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 128.331 15.0325 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 155.225 15.0325 0 0.02805 protocols.relax.FastRelax: CMD: min -312.948 14.5287 1.91075 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -312.948 14.5287 1.91075 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -169.81 14.5287 1.91075 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2807 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -191.201 14.5287 1.91075 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -183.769 14.5287 1.91075 0.154 protocols.relax.FastRelax: CMD: min -266.197 14.4843 2.0994 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.197 14.4843 2.0994 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -222.343 14.4843 2.0994 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2606 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.806 14.4843 2.0994 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -220.529 14.4843 2.0994 0.31955 protocols.relax.FastRelax: CMD: min -238.066 14.6145 1.96776 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -238.066 14.6145 1.96776 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -199.007 14.6145 1.96776 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2276 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.281 14.6145 1.96776 0.55 protocols.relax.FastRelax: CMD: min -230.368 14.5585 2.13696 0.55 protocols.relax.FastRelax: MRP: 0 -230.368 -230.368 14.5585 2.13696 protocols.relax.FastRelax: CMD: accept_to_best -230.368 14.5585 2.13696 0.55 protocols.relax.FastRelax: CMD: endrepeat -230.368 14.5585 2.13696 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -230.368 14.5585 2.13696 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -290.213 14.5585 2.13696 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2539 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -301.899 14.5585 2.13696 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -299.485 14.5585 2.13696 0.02805 protocols.relax.FastRelax: CMD: min -361.771 14.465 2.28973 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -361.771 14.465 2.28973 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -225.492 14.465 2.28973 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3057 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.741 14.465 2.28973 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.464 14.465 2.28973 0.154 protocols.relax.FastRelax: CMD: min -301.963 14.5152 2.06983 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -301.963 14.5152 2.06983 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -259.426 14.5152 2.06983 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2646 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -260.063 14.5152 2.06983 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -256.76 14.5152 2.06983 0.31955 protocols.relax.FastRelax: CMD: min -263.9 14.5775 1.97067 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -263.9 14.5775 1.97067 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -216.796 14.5775 1.97067 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2465 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.92 14.5775 1.97067 0.55 protocols.relax.FastRelax: CMD: min -244.3 14.6365 1.94403 0.55 protocols.relax.FastRelax: MRP: 1 -244.3 -244.3 14.6365 1.94403 protocols.relax.FastRelax: CMD: accept_to_best -244.3 14.6365 1.94403 0.55 protocols.relax.FastRelax: CMD: endrepeat -244.3 14.6365 1.94403 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -244.3 14.6365 1.94403 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -306.077 14.6365 1.94403 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2634 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -310.882 14.6365 1.94403 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -309.411 14.6365 1.94403 0.02805 protocols.relax.FastRelax: CMD: min -354.263 14.4307 2.40716 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -354.263 14.4307 2.40716 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.228 14.4307 2.40716 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3051 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.798 14.4307 2.40716 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -224.013 14.4307 2.40716 0.154 protocols.relax.FastRelax: CMD: min -298.233 14.554 2.04368 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -298.233 14.554 2.04368 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -256.646 14.554 2.04368 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2559 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.472 14.554 2.04368 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -254.293 14.554 2.04368 0.31955 protocols.relax.FastRelax: CMD: min -264.359 14.5933 1.95319 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -264.359 14.5933 1.95319 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -223.511 14.5933 1.95319 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2441 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.957 14.5933 1.95319 0.55 protocols.relax.FastRelax: CMD: min -242.243 14.6264 1.9229 0.55 protocols.relax.FastRelax: MRP: 2 -242.243 -244.3 14.6365 1.94403 protocols.relax.FastRelax: CMD: accept_to_best -242.243 14.6264 1.9229 0.55 protocols.relax.FastRelax: CMD: endrepeat -242.243 14.6264 1.9229 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -242.243 14.6264 1.9229 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -304.098 14.6264 1.9229 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2670 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -313.412 14.6264 1.9229 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.898 14.6264 1.9229 0.02805 protocols.relax.FastRelax: CMD: min -372.975 14.4137 2.35977 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -372.975 14.4137 2.35977 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -217.799 14.4137 2.35977 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3149 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.67 14.4137 2.35977 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.044 14.4137 2.35977 0.154 protocols.relax.FastRelax: CMD: min -307.235 14.4759 2.07432 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -307.235 14.4759 2.07432 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -263.652 14.4759 2.07432 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2535 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -264.553 14.4759 2.07432 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -261.173 14.4759 2.07432 0.31955 protocols.relax.FastRelax: CMD: min -272.2 14.5363 2.00862 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -272.2 14.5363 2.00862 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -229.898 14.5363 2.00862 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2362 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.929 14.5363 2.00862 0.55 protocols.relax.FastRelax: CMD: min -247.572 14.6108 2.02558 0.55 protocols.relax.FastRelax: MRP: 3 -247.572 -247.572 14.6108 2.02558 protocols.relax.FastRelax: CMD: accept_to_best -247.572 14.6108 2.02558 0.55 protocols.relax.FastRelax: CMD: endrepeat -247.572 14.6108 2.02558 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -247.572 14.6108 2.02558 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -308.522 14.6108 2.02558 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2567 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -313.539 14.6108 2.02558 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -312.269 14.6108 2.02558 0.02805 protocols.relax.FastRelax: CMD: min -377.262 14.3684 2.45384 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -377.262 14.3684 2.45384 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -228.183 14.3684 2.45384 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3076 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.399 14.3684 2.45384 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.212 14.3684 2.45384 0.154 protocols.relax.FastRelax: CMD: min -309.79 14.5246 2.20564 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -309.79 14.5246 2.20564 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -264.315 14.5246 2.20564 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2543 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -264.361 14.5246 2.20564 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -260.813 14.5246 2.20564 0.31955 protocols.relax.FastRelax: CMD: min -272.27 14.5545 2.14504 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -272.27 14.5545 2.14504 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -227.135 14.5545 2.14504 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2480 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.635 14.5545 2.14504 0.55 protocols.relax.FastRelax: CMD: min -252.17 14.6149 2.00848 0.55 protocols.relax.FastRelax: MRP: 4 -252.17 -252.17 14.6149 2.00848 protocols.relax.FastRelax: CMD: accept_to_best -252.17 14.6149 2.00848 0.55 protocols.relax.FastRelax: CMD: endrepeat -252.17 14.6149 2.00848 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_38.pdb protocols.relax.FastRelax: CMD: repeat 75088.8 13.1025 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 75088.8 13.1025 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7344.73 13.1025 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3260 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -37.6791 13.1025 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 10.3774 13.1025 0 0.02805 protocols.relax.FastRelax: CMD: min -298.357 12.407 3.04446 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -298.357 12.407 3.04446 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -144.66 12.407 3.04446 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3147 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -172.133 12.407 3.04446 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -163.295 12.407 3.04446 0.154 protocols.relax.FastRelax: CMD: min -243.418 12.6034 2.88159 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -243.418 12.6034 2.88159 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -194.061 12.6034 2.88159 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2896 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -198.301 12.6034 2.88159 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -194.628 12.6034 2.88159 0.31955 protocols.relax.FastRelax: CMD: min -207.167 12.6622 2.84684 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -207.167 12.6622 2.84684 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -158.831 12.6622 2.84684 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2687 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -158.937 12.6622 2.84684 0.55 protocols.relax.FastRelax: CMD: min -228.292 12.6338 2.11021 0.55 protocols.relax.FastRelax: MRP: 0 -228.292 -228.292 12.6338 2.11021 protocols.relax.FastRelax: CMD: accept_to_best -228.292 12.6338 2.11021 0.55 protocols.relax.FastRelax: CMD: endrepeat -228.292 12.6338 2.11021 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -228.292 12.6338 2.11021 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -289.808 12.6338 2.11021 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2937 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -301.134 12.6338 2.11021 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -299.172 12.6338 2.11021 0.02805 protocols.relax.FastRelax: CMD: min -353.196 12.474 2.28117 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -353.196 12.474 2.28117 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -193.701 12.474 2.28117 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3206 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.492 12.474 2.28117 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -215.454 12.474 2.28117 0.154 protocols.relax.FastRelax: CMD: min -290.535 12.4885 2.25763 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -290.535 12.4885 2.25763 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -246.252 12.4885 2.25763 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2886 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -247.123 12.4885 2.25763 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -243.693 12.4885 2.25763 0.31955 protocols.relax.FastRelax: CMD: min -256.447 12.5382 2.17255 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -256.447 12.5382 2.17255 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -214.653 12.5382 2.17255 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2715 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -214.745 12.5382 2.17255 0.55 protocols.relax.FastRelax: CMD: min -241.002 12.351 2.88335 0.55 protocols.relax.FastRelax: MRP: 1 -241.002 -241.002 12.351 2.88335 protocols.relax.FastRelax: CMD: accept_to_best -241.002 12.351 2.88335 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.002 12.351 2.88335 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -241.002 12.351 2.88335 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -303.695 12.351 2.88335 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3050 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -316.286 12.351 2.88335 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -314.316 12.351 2.88335 0.02805 protocols.relax.FastRelax: CMD: min -359.822 12.314 2.82268 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -359.822 12.314 2.82268 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.873 12.314 2.82268 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3123 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.136 12.314 2.82268 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.607 12.314 2.82268 0.154 protocols.relax.FastRelax: CMD: min -298.756 12.3713 2.75455 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -298.756 12.3713 2.75455 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -255.104 12.3713 2.75455 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2916 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -256.572 12.3713 2.75455 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -253.216 12.3713 2.75455 0.31955 protocols.relax.FastRelax: CMD: min -267.463 12.4379 2.75018 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -267.463 12.4379 2.75018 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -227.665 12.4379 2.75018 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2813 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.892 12.4379 2.75018 0.55 protocols.relax.FastRelax: CMD: min -245.973 12.3549 3.23064 0.55 protocols.relax.FastRelax: MRP: 2 -245.973 -245.973 12.3549 3.23064 protocols.relax.FastRelax: CMD: accept_to_best -245.973 12.3549 3.23064 0.55 protocols.relax.FastRelax: CMD: endrepeat -245.973 12.3549 3.23064 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -245.973 12.3549 3.23064 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -309.166 12.3549 3.23064 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3145 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -317.556 12.3549 3.23064 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -316.111 12.3549 3.23064 0.02805 protocols.relax.FastRelax: CMD: min -363.621 12.395 3.14583 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -363.621 12.395 3.14583 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -210.829 12.395 3.14583 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3236 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.584 12.395 3.14583 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -224.144 12.395 3.14583 0.154 protocols.relax.FastRelax: CMD: min -301.648 12.3548 3.27448 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -301.648 12.3548 3.27448 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -256.903 12.3548 3.27448 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3036 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -263.683 12.3548 3.27448 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -260.458 12.3548 3.27448 0.31955 protocols.relax.FastRelax: CMD: min -272.594 12.3681 3.29191 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -272.594 12.3681 3.29191 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -231.525 12.3681 3.29191 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2822 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.709 12.3681 3.29191 0.55 protocols.relax.FastRelax: CMD: min -249.89 12.4637 3.49557 0.55 protocols.relax.FastRelax: MRP: 3 -249.89 -249.89 12.4637 3.49557 protocols.relax.FastRelax: CMD: accept_to_best -249.89 12.4637 3.49557 0.55 protocols.relax.FastRelax: CMD: endrepeat -249.89 12.4637 3.49557 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -249.89 12.4637 3.49557 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -313.983 12.4637 3.49557 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3167 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -321.395 12.4637 3.49557 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -319.972 12.4637 3.49557 0.02805 protocols.relax.FastRelax: CMD: min -372.687 12.4928 4.00779 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -372.687 12.4928 4.00779 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -232.39 12.4928 4.00779 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3366 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -254.133 12.4928 4.00779 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -246.801 12.4928 4.00779 0.154 protocols.relax.FastRelax: CMD: min -303.581 12.5939 3.84076 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -303.581 12.5939 3.84076 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -255.689 12.5939 3.84076 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2970 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -256.864 12.5939 3.84076 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -253.224 12.5939 3.84076 0.31955 protocols.relax.FastRelax: CMD: min -271.997 12.5959 3.75958 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -271.997 12.5959 3.75958 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -229.463 12.5959 3.75958 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2766 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.593 12.5959 3.75958 0.55 protocols.relax.FastRelax: CMD: min -250.504 12.5143 3.81716 0.55 protocols.relax.FastRelax: MRP: 4 -250.504 -250.504 12.5143 3.81716 protocols.relax.FastRelax: CMD: accept_to_best -250.504 12.5143 3.81716 0.55 protocols.relax.FastRelax: CMD: endrepeat -250.504 12.5143 3.81716 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_19.pdb protocols.relax.FastRelax: CMD: repeat 74428.8 16.2251 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 74428.8 16.2251 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6666.23 16.2251 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3296 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 207.804 16.2251 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 248.44 16.2251 0 0.02805 protocols.relax.FastRelax: CMD: min -241.61 15.5064 4.31561 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -241.61 15.5064 4.31561 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -92.3973 15.5064 4.31561 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2559 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.635 15.5064 4.31561 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.861 15.5064 4.31561 0.154 protocols.relax.FastRelax: CMD: min -193.859 15.8176 3.69466 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -193.859 15.8176 3.69466 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -140.629 15.8176 3.69466 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2404 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -141.33 15.8176 3.69466 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -137.207 15.8176 3.69466 0.31955 protocols.relax.FastRelax: CMD: min -157.12 15.8399 3.91998 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -157.12 15.8399 3.91998 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -108.516 15.8399 3.91998 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2263 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.755 15.8399 3.91998 0.55 protocols.relax.FastRelax: CMD: min -153.774 15.5088 5.24617 0.55 protocols.relax.FastRelax: MRP: 0 -153.774 -153.774 15.5088 5.24617 protocols.relax.FastRelax: CMD: accept_to_best -153.774 15.5088 5.24617 0.55 protocols.relax.FastRelax: CMD: endrepeat -153.774 15.5088 5.24617 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -153.774 15.5088 5.24617 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -220.576 15.5088 5.24617 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2557 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.492 15.5088 5.24617 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -237.136 15.5088 5.24617 0.02805 protocols.relax.FastRelax: CMD: min -272.928 15.3028 5.14419 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -272.928 15.3028 5.14419 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -143.05 15.3028 5.14419 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2633 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -170.013 15.3028 5.14419 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -163.281 15.3028 5.14419 0.154 protocols.relax.FastRelax: CMD: min -221.41 15.4562 5.10022 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -221.41 15.4562 5.10022 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -176.546 15.4562 5.10022 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2503 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -177.898 15.4562 5.10022 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -174.471 15.4562 5.10022 0.31955 protocols.relax.FastRelax: CMD: min -191.659 15.4907 5.38532 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -191.659 15.4907 5.38532 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -149.037 15.4907 5.38532 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2313 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -149.159 15.4907 5.38532 0.55 protocols.relax.FastRelax: CMD: min -170.885 15.6482 5.45011 0.55 protocols.relax.FastRelax: MRP: 1 -170.885 -170.885 15.6482 5.45011 protocols.relax.FastRelax: CMD: accept_to_best -170.885 15.6482 5.45011 0.55 protocols.relax.FastRelax: CMD: endrepeat -170.885 15.6482 5.45011 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -170.885 15.6482 5.45011 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -239.646 15.6482 5.45011 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2439 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.844 15.6482 5.45011 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -248.996 15.6482 5.45011 0.02805 protocols.relax.FastRelax: CMD: min -304.692 15.529 4.48301 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -304.692 15.529 4.48301 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -182.435 15.529 4.48301 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2855 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.635 15.529 4.48301 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -186.328 15.529 4.48301 0.154 protocols.relax.FastRelax: CMD: min -240.323 15.6622 4.46661 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -240.323 15.6622 4.46661 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -192.852 15.6622 4.46661 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2520 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.841 15.6622 4.46661 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -191.27 15.6622 4.46661 0.31955 protocols.relax.FastRelax: CMD: min -192.902 15.6687 4.47483 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -192.902 15.6687 4.47483 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -126.966 15.6687 4.47483 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2473 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.244 15.6687 4.47483 0.55 protocols.relax.FastRelax: CMD: min -177.668 15.7445 4.79282 0.55 protocols.relax.FastRelax: MRP: 2 -177.668 -177.668 15.7445 4.79282 protocols.relax.FastRelax: CMD: accept_to_best -177.668 15.7445 4.79282 0.55 protocols.relax.FastRelax: CMD: endrepeat -177.668 15.7445 4.79282 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -177.668 15.7445 4.79282 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -248.09 15.7445 4.79282 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2504 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.193 15.7445 4.79282 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -255.304 15.7445 4.79282 0.02805 protocols.relax.FastRelax: CMD: min -299.715 15.5821 4.29721 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -299.715 15.5821 4.29721 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -183.441 15.5821 4.29721 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2828 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.491 15.5821 4.29721 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -187.554 15.5821 4.29721 0.154 protocols.relax.FastRelax: CMD: min -243.724 15.6312 4.48447 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -243.724 15.6312 4.48447 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -199.107 15.6312 4.48447 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2477 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.051 15.6312 4.48447 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -196.611 15.6312 4.48447 0.31955 protocols.relax.FastRelax: CMD: min -204.238 15.6792 4.62327 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -204.238 15.6792 4.62327 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -158.762 15.6792 4.62327 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2364 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -159.391 15.6792 4.62327 0.55 protocols.relax.FastRelax: CMD: min -179.227 15.7284 4.80934 0.55 protocols.relax.FastRelax: MRP: 3 -179.227 -179.227 15.7284 4.80934 protocols.relax.FastRelax: CMD: accept_to_best -179.227 15.7284 4.80934 0.55 protocols.relax.FastRelax: CMD: endrepeat -179.227 15.7284 4.80934 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -179.227 15.7284 4.80934 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -249.804 15.7284 4.80934 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2502 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -259.12 15.7284 4.80934 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -257.248 15.7284 4.80934 0.02805 protocols.relax.FastRelax: CMD: min -268.21 15.7869 4.5618 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -268.21 15.7869 4.5618 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -209.548 15.7869 4.5618 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2568 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.42 15.7869 4.5618 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -218.471 15.7869 4.5618 0.154 protocols.relax.FastRelax: CMD: min -242.847 15.6449 4.60995 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -242.847 15.6449 4.60995 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -203.92 15.6449 4.60995 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2440 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -204.812 15.6449 4.60995 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -201.79 15.6449 4.60995 0.31955 protocols.relax.FastRelax: CMD: min -208.981 15.694 4.61703 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -208.981 15.694 4.61703 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -165.268 15.694 4.61703 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2290 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.348 15.694 4.61703 0.55 protocols.relax.FastRelax: CMD: min -179.212 15.7286 4.81287 0.55 protocols.relax.FastRelax: MRP: 4 -179.212 -179.227 15.7284 4.80934 protocols.relax.FastRelax: CMD: accept_to_best -179.212 15.7286 4.81287 0.55 protocols.relax.FastRelax: CMD: endrepeat -179.212 15.7286 4.81287 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_24.pdb protocols.relax.FastRelax: CMD: repeat 69957.3 15.734 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69957.3 15.734 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7080.04 15.734 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3131 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 66.3943 15.734 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 151.899 15.734 0 0.02805 protocols.relax.FastRelax: CMD: min -249.371 15.2848 3.83868 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -249.371 15.2848 3.83868 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -7.66378 15.2848 3.83868 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2747 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.142 15.2848 3.83868 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -92.0112 15.2848 3.83868 0.154 protocols.relax.FastRelax: CMD: min -200.851 15.4035 4.98606 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -200.851 15.4035 4.98606 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -136.664 15.4035 4.98606 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2446 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -140.434 15.4035 4.98606 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -135.626 15.4035 4.98606 0.31955 protocols.relax.FastRelax: CMD: min -160.913 15.6476 5.53341 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -160.913 15.6476 5.53341 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -105.868 15.6476 5.53341 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2275 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -106.024 15.6476 5.53341 0.55 protocols.relax.FastRelax: CMD: min -173.777 15.874 7.13269 0.55 protocols.relax.FastRelax: MRP: 0 -173.777 -173.777 15.874 7.13269 protocols.relax.FastRelax: CMD: accept_to_best -173.777 15.874 7.13269 0.55 protocols.relax.FastRelax: CMD: endrepeat -173.777 15.874 7.13269 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -173.777 15.874 7.13269 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -249.164 15.874 7.13269 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2696 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.081 15.874 7.13269 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -264.556 15.874 7.13269 0.02805 protocols.relax.FastRelax: CMD: min -316.65 15.6508 7.21893 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -316.65 15.6508 7.21893 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -160.709 15.6508 7.21893 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2713 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -191.68 15.6508 7.21893 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -183.765 15.6508 7.21893 0.154 protocols.relax.FastRelax: CMD: min -248.844 15.9627 7.11089 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -248.844 15.9627 7.11089 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -198.743 15.9627 7.11089 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2567 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.914 15.9627 7.11089 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -198.064 15.9627 7.11089 0.31955 protocols.relax.FastRelax: CMD: min -212.7 16.1295 7.37771 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -212.7 16.1295 7.37771 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -163.169 16.1295 7.37771 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2527 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -163.464 16.1295 7.37771 0.55 protocols.relax.FastRelax: CMD: min -204.898 16.0744 6.88073 0.55 protocols.relax.FastRelax: MRP: 1 -204.898 -204.898 16.0744 6.88073 protocols.relax.FastRelax: CMD: accept_to_best -204.898 16.0744 6.88073 0.55 protocols.relax.FastRelax: CMD: endrepeat -204.898 16.0744 6.88073 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -204.898 16.0744 6.88073 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -277.282 16.0744 6.88073 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2766 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -290.626 16.0744 6.88073 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -287.652 16.0744 6.88073 0.02805 protocols.relax.FastRelax: CMD: min -335.597 16.2741 7.41423 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -335.597 16.2741 7.41423 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -215.492 16.2741 7.41423 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2751 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.336 16.2741 7.41423 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -226.537 16.2741 7.41423 0.154 protocols.relax.FastRelax: CMD: min -279.427 16.5033 7.74726 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -279.427 16.5033 7.74726 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -229.309 16.5033 7.74726 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2690 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.553 16.5033 7.74726 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -225.587 16.5033 7.74726 0.31955 protocols.relax.FastRelax: CMD: min -240.325 16.6277 7.83309 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -240.325 16.6277 7.83309 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -191.829 16.6277 7.83309 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2649 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.061 16.6277 7.83309 0.55 protocols.relax.FastRelax: CMD: min -226.881 16.5222 7.78845 0.55 protocols.relax.FastRelax: MRP: 2 -226.881 -226.881 16.5222 7.78845 protocols.relax.FastRelax: CMD: accept_to_best -226.881 16.5222 7.78845 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.881 16.5222 7.78845 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.881 16.5222 7.78845 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -298.187 16.5222 7.78845 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2788 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -313.185 16.5222 7.78845 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.116 16.5222 7.78845 0.02805 protocols.relax.FastRelax: CMD: min -364.523 16.1753 7.58432 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -364.523 16.1753 7.58432 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -218.682 16.1753 7.58432 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2772 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.659 16.1753 7.58432 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.133 16.1753 7.58432 0.154 protocols.relax.FastRelax: CMD: min -288.864 16.5758 8.06136 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -288.864 16.5758 8.06136 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.028 16.5758 8.06136 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2618 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.928 16.5758 8.06136 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -228.787 16.5758 8.06136 0.31955 protocols.relax.FastRelax: CMD: min -253.023 16.6125 8.03163 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -253.023 16.6125 8.03163 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -206.951 16.6125 8.03163 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2430 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.815 16.6125 8.03163 0.55 protocols.relax.FastRelax: CMD: min -228.499 16.8026 8.47222 0.55 protocols.relax.FastRelax: MRP: 3 -228.499 -228.499 16.8026 8.47222 protocols.relax.FastRelax: CMD: accept_to_best -228.499 16.8026 8.47222 0.55 protocols.relax.FastRelax: CMD: endrepeat -228.499 16.8026 8.47222 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -228.499 16.8026 8.47222 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -301.147 16.8026 8.47222 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2764 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -317.499 16.8026 8.47222 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -314.391 16.8026 8.47222 0.02805 protocols.relax.FastRelax: CMD: min -345.546 16.3072 7.93369 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -345.546 16.3072 7.93369 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -208.329 16.3072 7.93369 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2912 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.052 16.3072 7.93369 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -244.004 16.3072 7.93369 0.154 protocols.relax.FastRelax: CMD: min -292.312 16.4951 8.04902 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -292.312 16.4951 8.04902 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -245.933 16.4951 8.04902 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2612 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -247.782 16.4951 8.04902 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -244.088 16.4951 8.04902 0.31955 protocols.relax.FastRelax: CMD: min -256.89 16.666 8.21148 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -256.89 16.666 8.21148 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -211.769 16.666 8.21148 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2483 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.29 16.666 8.21148 0.55 protocols.relax.FastRelax: CMD: min -231.459 16.8988 9.02448 0.55 protocols.relax.FastRelax: MRP: 4 -231.459 -231.459 16.8988 9.02448 protocols.relax.FastRelax: CMD: accept_to_best -231.459 16.8988 9.02448 0.55 protocols.relax.FastRelax: CMD: endrepeat -231.459 16.8988 9.02448 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_25.pdb protocols.relax.FastRelax: CMD: repeat 76003.6 16.0329 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 76003.6 16.0329 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7389.25 16.0329 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2607 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -140.803 16.0329 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -131.508 16.0329 0 0.02805 protocols.relax.FastRelax: CMD: min -281.731 14.5692 2.25674 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -281.731 14.5692 2.25674 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -156.103 14.5692 2.25674 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2884 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.976 14.5692 2.25674 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -176.369 14.5692 2.25674 0.154 protocols.relax.FastRelax: CMD: min -251.208 14.7126 2.4893 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -251.208 14.7126 2.4893 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -210.84 14.7126 2.4893 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2662 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.074 14.7126 2.4893 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -209.996 14.7126 2.4893 0.31955 protocols.relax.FastRelax: CMD: min -221.93 14.7882 2.44405 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -221.93 14.7882 2.44405 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -181.727 14.7882 2.44405 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2630 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.241 14.7882 2.44405 0.55 protocols.relax.FastRelax: CMD: min -221.571 14.7149 2.50318 0.55 protocols.relax.FastRelax: MRP: 0 -221.571 -221.571 14.7149 2.50318 protocols.relax.FastRelax: CMD: accept_to_best -221.571 14.7149 2.50318 0.55 protocols.relax.FastRelax: CMD: endrepeat -221.571 14.7149 2.50318 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -221.571 14.7149 2.50318 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.241 14.7149 2.50318 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2999 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -299.262 14.7149 2.50318 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -296.407 14.7149 2.50318 0.02805 protocols.relax.FastRelax: CMD: min -358.263 14.5727 2.69971 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -358.263 14.5727 2.69971 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -225.079 14.5727 2.69971 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3193 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.443 14.5727 2.69971 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -234.951 14.5727 2.69971 0.154 protocols.relax.FastRelax: CMD: min -292.21 14.6916 2.54857 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -292.21 14.6916 2.54857 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -243.236 14.6916 2.54857 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2982 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.055 14.6916 2.54857 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -240.213 14.6916 2.54857 0.31955 protocols.relax.FastRelax: CMD: min -255.043 14.7505 2.44749 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -255.043 14.7505 2.44749 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -210.077 14.7505 2.44749 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2680 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.753 14.7505 2.44749 0.55 protocols.relax.FastRelax: CMD: min -241.026 14.822 2.40642 0.55 protocols.relax.FastRelax: MRP: 1 -241.026 -241.026 14.822 2.40642 protocols.relax.FastRelax: CMD: accept_to_best -241.026 14.822 2.40642 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.026 14.822 2.40642 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -241.026 14.822 2.40642 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -306.302 14.822 2.40642 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2940 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -311.719 14.822 2.40642 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.321 14.822 2.40642 0.02805 protocols.relax.FastRelax: CMD: min -358.812 14.6659 2.69304 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -358.812 14.6659 2.69304 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -244.903 14.6659 2.69304 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3229 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -255.805 14.6659 2.69304 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -249.344 14.6659 2.69304 0.154 protocols.relax.FastRelax: CMD: min -295.257 14.8108 2.45213 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -295.257 14.8108 2.45213 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -251.669 14.8108 2.45213 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2875 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -252.633 14.8108 2.45213 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -249.201 14.8108 2.45213 0.31955 protocols.relax.FastRelax: CMD: min -262.228 14.7566 2.51064 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -262.228 14.7566 2.51064 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -217.393 14.7566 2.51064 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2651 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.251 14.7566 2.51064 0.55 protocols.relax.FastRelax: CMD: min -239.494 14.8253 2.3794 0.55 protocols.relax.FastRelax: MRP: 2 -239.494 -241.026 14.822 2.40642 protocols.relax.FastRelax: CMD: accept_to_best -239.494 14.8253 2.3794 0.55 protocols.relax.FastRelax: CMD: endrepeat -239.494 14.8253 2.3794 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -239.494 14.8253 2.3794 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -306.462 14.8253 2.3794 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3094 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -316.343 14.8253 2.3794 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -313.33 14.8253 2.3794 0.02805 protocols.relax.FastRelax: CMD: min -357.261 14.5457 2.72207 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -357.261 14.5457 2.72207 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -229.141 14.5457 2.72207 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3236 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.25 14.5457 2.72207 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -251.46 14.5457 2.72207 0.154 protocols.relax.FastRelax: CMD: min -292.908 14.631 2.56126 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -292.908 14.631 2.56126 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -250.41 14.631 2.56126 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3026 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -251.103 14.631 2.56126 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -247.739 14.631 2.56126 0.31955 protocols.relax.FastRelax: CMD: min -257.622 14.7076 2.53213 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -257.622 14.7076 2.53213 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -215.037 14.7076 2.53213 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2667 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -214.961 14.7076 2.53213 0.55 protocols.relax.FastRelax: CMD: min -237.932 14.8186 2.41237 0.55 protocols.relax.FastRelax: MRP: 3 -237.932 -241.026 14.822 2.40642 protocols.relax.FastRelax: CMD: accept_to_best -237.932 14.8186 2.41237 0.55 protocols.relax.FastRelax: CMD: endrepeat -237.932 14.8186 2.41237 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -237.932 14.8186 2.41237 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -304.736 14.8186 2.41237 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3035 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -312.766 14.8186 2.41237 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.877 14.8186 2.41237 0.02805 protocols.relax.FastRelax: CMD: min -366.714 14.5846 2.76998 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -366.714 14.5846 2.76998 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -242.07 14.5846 2.76998 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3206 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -251.21 14.5846 2.76998 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -243.69 14.5846 2.76998 0.154 protocols.relax.FastRelax: CMD: min -298.537 14.6858 2.65553 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -298.537 14.6858 2.65553 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -247.977 14.6858 2.65553 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3019 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.435 14.6858 2.65553 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -246.476 14.6858 2.65553 0.31955 protocols.relax.FastRelax: CMD: min -268.055 14.7475 2.48815 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -268.055 14.7475 2.48815 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -225.924 14.7475 2.48815 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2692 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.944 14.7475 2.48815 0.55 protocols.relax.FastRelax: CMD: min -241.586 14.8398 2.45572 0.55 protocols.relax.FastRelax: MRP: 4 -241.586 -241.586 14.8398 2.45572 protocols.relax.FastRelax: CMD: accept_to_best -241.586 14.8398 2.45572 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.586 14.8398 2.45572 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_31.pdb protocols.relax.FastRelax: CMD: repeat 69389.8 16.9859 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69389.8 16.9859 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7300.82 16.9859 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2718 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 112.472 16.9859 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 126.836 16.9859 0 0.02805 protocols.relax.FastRelax: CMD: min -175.173 15.2329 4.52378 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -175.173 15.2329 4.52378 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 375.774 15.2329 4.52378 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3002 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.293 15.2329 4.52378 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -184.175 15.2329 4.52378 0.154 protocols.relax.FastRelax: CMD: min -216.609 15.4272 4.47385 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -216.609 15.4272 4.47385 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -170.911 15.4272 4.47385 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2646 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -173.542 15.4272 4.47385 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -170.24 15.4272 4.47385 0.31955 protocols.relax.FastRelax: CMD: min -186.946 15.6192 4.2264 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -186.946 15.6192 4.2264 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -145.826 15.6192 4.2264 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2723 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -147.38 15.6192 4.2264 0.55 protocols.relax.FastRelax: CMD: min -194.845 15.55 4.25028 0.55 protocols.relax.FastRelax: MRP: 0 -194.845 -194.845 15.55 4.25028 protocols.relax.FastRelax: CMD: accept_to_best -194.845 15.55 4.25028 0.55 protocols.relax.FastRelax: CMD: endrepeat -194.845 15.55 4.25028 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -194.845 15.55 4.25028 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -253.93 15.55 4.25028 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2838 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -266.362 15.55 4.25028 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -264.082 15.55 4.25028 0.02805 protocols.relax.FastRelax: CMD: min -306.548 15.4926 4.24723 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -306.548 15.4926 4.24723 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -192.224 15.4926 4.24723 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2860 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.279 15.4926 4.24723 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -212.107 15.4926 4.24723 0.154 protocols.relax.FastRelax: CMD: min -250.775 15.5994 4.19067 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -250.775 15.5994 4.19067 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -213.943 15.5994 4.19067 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2654 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -214.109 15.5994 4.19067 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -211.189 15.5994 4.19067 0.31955 protocols.relax.FastRelax: CMD: min -220.462 15.6324 4.22647 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -220.462 15.6324 4.22647 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -181.679 15.6324 4.22647 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2496 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.75 15.6324 4.22647 0.55 protocols.relax.FastRelax: CMD: min -203.493 15.5147 4.34083 0.55 protocols.relax.FastRelax: MRP: 1 -203.493 -203.493 15.5147 4.34083 protocols.relax.FastRelax: CMD: accept_to_best -203.493 15.5147 4.34083 0.55 protocols.relax.FastRelax: CMD: endrepeat -203.493 15.5147 4.34083 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -203.493 15.5147 4.34083 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -261.515 15.5147 4.34083 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2866 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -271.515 15.5147 4.34083 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -269.026 15.5147 4.34083 0.02805 protocols.relax.FastRelax: CMD: min -301.877 15.5047 4.22229 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -301.877 15.5047 4.22229 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -194.028 15.5047 4.22229 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2704 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.004 15.5047 4.22229 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -214.29 15.5047 4.22229 0.154 protocols.relax.FastRelax: CMD: min -253.077 15.6564 4.02632 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -253.077 15.6564 4.02632 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -218.005 15.6564 4.02632 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2635 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.521 15.6564 4.02632 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -215.759 15.6564 4.02632 0.31955 protocols.relax.FastRelax: CMD: min -225.154 15.7084 4.01242 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -225.154 15.7084 4.01242 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -186.65 15.7084 4.01242 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2538 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -187.203 15.7084 4.01242 0.55 protocols.relax.FastRelax: CMD: min -206.156 15.8728 3.73333 0.55 protocols.relax.FastRelax: MRP: 2 -206.156 -206.156 15.8728 3.73333 protocols.relax.FastRelax: CMD: accept_to_best -206.156 15.8728 3.73333 0.55 protocols.relax.FastRelax: CMD: endrepeat -206.156 15.8728 3.73333 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -206.156 15.8728 3.73333 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -266.385 15.8728 3.73333 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2860 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.271 15.8728 3.73333 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -275.15 15.8728 3.73333 0.02805 protocols.relax.FastRelax: CMD: min -313.837 15.6716 3.81227 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -313.837 15.6716 3.81227 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -212.603 15.6716 3.81227 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2720 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.939 15.6716 3.81227 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.977 15.6716 3.81227 0.154 protocols.relax.FastRelax: CMD: min -262.098 15.8555 3.66082 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.098 15.8555 3.66082 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -222.711 15.8555 3.66082 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2575 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.377 15.8555 3.66082 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -220.301 15.8555 3.66082 0.31955 protocols.relax.FastRelax: CMD: min -235.151 15.9598 3.64538 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.151 15.9598 3.64538 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -198.381 15.9598 3.64538 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2488 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -198.721 15.9598 3.64538 0.55 protocols.relax.FastRelax: CMD: min -212.697 16.0451 3.57933 0.55 protocols.relax.FastRelax: MRP: 3 -212.697 -212.697 16.0451 3.57933 protocols.relax.FastRelax: CMD: accept_to_best -212.697 16.0451 3.57933 0.55 protocols.relax.FastRelax: CMD: endrepeat -212.697 16.0451 3.57933 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -212.697 16.0451 3.57933 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.879 16.0451 3.57933 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2699 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -282.807 16.0451 3.57933 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -280.133 16.0451 3.57933 0.02805 protocols.relax.FastRelax: CMD: min -303.573 15.9541 3.5572 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -303.573 15.9541 3.5572 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -222.244 15.9541 3.5572 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2676 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -248.04 15.9541 3.5572 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -244.653 15.9541 3.5572 0.154 protocols.relax.FastRelax: CMD: min -266.282 16.0632 3.52423 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.282 16.0632 3.52423 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -232.609 16.0632 3.52423 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2474 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.718 16.0632 3.52423 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -230.074 16.0632 3.52423 0.31955 protocols.relax.FastRelax: CMD: min -237.04 16.1088 3.53242 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -237.04 16.1088 3.53242 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.058 16.1088 3.53242 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2422 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.484 16.1088 3.53242 0.55 protocols.relax.FastRelax: CMD: min -215.545 16.0963 3.49339 0.55 protocols.relax.FastRelax: MRP: 4 -215.545 -215.545 16.0963 3.49339 protocols.relax.FastRelax: CMD: accept_to_best -215.545 16.0963 3.49339 0.55 protocols.relax.FastRelax: CMD: endrepeat -215.545 16.0963 3.49339 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_5.pdb protocols.relax.FastRelax: CMD: repeat 75666.9 15.2824 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 75666.9 15.2824 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7372.12 15.2824 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2901 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 301.616 15.2824 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 323.85 15.2824 0 0.02805 protocols.relax.FastRelax: CMD: min 1224.9 16.2214 14.9613 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 1224.9 16.2214 14.9613 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 7472.17 16.2214 14.9613 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2883 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 5325.31 16.2214 14.9613 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 5638.87 16.2214 14.9613 0.154 protocols.relax.FastRelax: CMD: min -184.333 13.9277 15.5002 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -184.333 13.9277 15.5002 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -140.179 13.9277 15.5002 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2338 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -169.855 13.9277 15.5002 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -167.008 13.9277 15.5002 0.31955 protocols.relax.FastRelax: CMD: min -182.071 14.0507 15.0139 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -182.071 14.0507 15.0139 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -145.142 14.0507 15.0139 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2285 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -146.319 14.0507 15.0139 0.55 protocols.relax.FastRelax: CMD: min -199.524 14.2365 14.8455 0.55 protocols.relax.FastRelax: MRP: 0 -199.524 -199.524 14.2365 14.8455 protocols.relax.FastRelax: CMD: accept_to_best -199.524 14.2365 14.8455 0.55 protocols.relax.FastRelax: CMD: endrepeat -199.524 14.2365 14.8455 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -199.524 14.2365 14.8455 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -254.967 14.2365 14.8455 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2452 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -271.26 14.2365 14.8455 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -268.505 14.2365 14.8455 0.02805 protocols.relax.FastRelax: CMD: min -312.07 13.6037 15.5457 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -312.07 13.6037 15.5457 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -181.251 13.6037 15.5457 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2405 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.068 13.6037 15.5457 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -212.513 13.6037 15.5457 0.154 protocols.relax.FastRelax: CMD: min -260.44 13.7846 15.6556 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -260.44 13.7846 15.6556 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -221.523 13.7846 15.6556 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2227 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.974 13.7846 15.6556 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -219.96 13.7846 15.6556 0.31955 protocols.relax.FastRelax: CMD: min -231.709 14.1077 15.7297 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -231.709 14.1077 15.7297 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -192.498 14.1077 15.7297 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2153 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -192.929 14.1077 15.7297 0.55 protocols.relax.FastRelax: CMD: min -220.095 14.6322 15.5034 0.55 protocols.relax.FastRelax: MRP: 1 -220.095 -220.095 14.6322 15.5034 protocols.relax.FastRelax: CMD: accept_to_best -220.095 14.6322 15.5034 0.55 protocols.relax.FastRelax: CMD: endrepeat -220.095 14.6322 15.5034 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -220.095 14.6322 15.5034 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -275.333 14.6322 15.5034 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2424 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -288.758 14.6322 15.5034 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -285.653 14.6322 15.5034 0.02805 protocols.relax.FastRelax: CMD: min -322.992 14.8758 15.2844 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -322.992 14.8758 15.2844 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -230.975 14.8758 15.2844 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2463 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.189 14.8758 15.2844 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -236.165 14.8758 15.2844 0.154 protocols.relax.FastRelax: CMD: min -272.096 14.8191 15.3892 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -272.096 14.8191 15.3892 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.501 14.8191 15.3892 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2277 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.351 14.8191 15.3892 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -233.6 14.8191 15.3892 0.31955 protocols.relax.FastRelax: CMD: min -244.289 14.7925 15.3471 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.289 14.7925 15.3471 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.774 14.7925 15.3471 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2165 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.903 14.7925 15.3471 0.55 protocols.relax.FastRelax: CMD: min -224.31 14.6333 15.5191 0.55 protocols.relax.FastRelax: MRP: 2 -224.31 -224.31 14.6333 15.5191 protocols.relax.FastRelax: CMD: accept_to_best -224.31 14.6333 15.5191 0.55 protocols.relax.FastRelax: CMD: endrepeat -224.31 14.6333 15.5191 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -224.31 14.6333 15.5191 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -280.111 14.6333 15.5191 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2441 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -291.064 14.6333 15.5191 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -289.366 14.6333 15.5191 0.02805 protocols.relax.FastRelax: CMD: min -327.578 14.8125 15.353 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -327.578 14.8125 15.353 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -218.818 14.8125 15.353 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2455 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.932 14.8125 15.353 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.755 14.8125 15.353 0.154 protocols.relax.FastRelax: CMD: min -269.652 14.8586 15.2623 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -269.652 14.8586 15.2623 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -232.552 14.8586 15.2623 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2296 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.02 14.8586 15.2623 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -231.156 14.8586 15.2623 0.31955 protocols.relax.FastRelax: CMD: min -242.989 14.8542 15.377 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.989 14.8542 15.377 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -204.822 14.8542 15.377 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2244 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -206.586 14.8542 15.377 0.55 protocols.relax.FastRelax: CMD: min -226.275 14.7435 15.4574 0.55 protocols.relax.FastRelax: MRP: 3 -226.275 -226.275 14.7435 15.4574 protocols.relax.FastRelax: CMD: accept_to_best -226.275 14.7435 15.4574 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.275 14.7435 15.4574 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.275 14.7435 15.4574 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.517 14.7435 15.4574 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2423 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.577 14.7435 15.4574 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -292.926 14.7435 15.4574 0.02805 protocols.relax.FastRelax: CMD: min -330.319 14.7434 15.5323 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -330.319 14.7434 15.5323 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -225.252 14.7434 15.5323 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2335 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.829 14.7434 15.5323 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -234.291 14.7434 15.5323 0.154 protocols.relax.FastRelax: CMD: min -277.243 14.9159 15.4895 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -277.243 14.9159 15.4895 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -239.293 14.9159 15.4895 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2316 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.102 14.9159 15.4895 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -237.217 14.9159 15.4895 0.31955 protocols.relax.FastRelax: CMD: min -244.3 14.7821 15.4342 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.3 14.7821 15.4342 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -205.51 14.7821 15.4342 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2215 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.953 14.7821 15.4342 0.55 protocols.relax.FastRelax: CMD: min -228.858 14.3615 15.8261 0.55 protocols.relax.FastRelax: MRP: 4 -228.858 -228.858 14.3615 15.8261 protocols.relax.FastRelax: CMD: accept_to_best -228.858 14.3615 15.8261 0.55 protocols.relax.FastRelax: CMD: endrepeat -228.858 14.3615 15.8261 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_15.pdb protocols.relax.FastRelax: CMD: repeat 71379.6 14.4562 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71379.6 14.4562 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7017.83 14.4562 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2421 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 147.248 14.4562 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 165.9 14.4562 0 0.02805 protocols.relax.FastRelax: CMD: min -253.7 14.7056 4.57401 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -253.7 14.7056 4.57401 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -138.539 14.7056 4.57401 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2694 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -170.761 14.7056 4.57401 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -165.432 14.7056 4.57401 0.154 protocols.relax.FastRelax: CMD: min -201.962 14.526 4.57137 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -201.962 14.526 4.57137 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -157.198 14.526 4.57137 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2542 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -159.851 14.526 4.57137 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -156.407 14.526 4.57137 0.31955 protocols.relax.FastRelax: CMD: min -192.458 14.2547 4.42559 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -192.458 14.2547 4.42559 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -158.171 14.2547 4.42559 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2439 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -158.359 14.2547 4.42559 0.55 protocols.relax.FastRelax: CMD: min -192.719 13.4986 5.08318 0.55 protocols.relax.FastRelax: MRP: 0 -192.719 -192.719 13.4986 5.08318 protocols.relax.FastRelax: CMD: accept_to_best -192.719 13.4986 5.08318 0.55 protocols.relax.FastRelax: CMD: endrepeat -192.719 13.4986 5.08318 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -192.719 13.4986 5.08318 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -253.436 13.4986 5.08318 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2870 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -272.341 13.4986 5.08318 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -269.046 13.4986 5.08318 0.02805 protocols.relax.FastRelax: CMD: min -327.039 13.3979 6.05528 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -327.039 13.3979 6.05528 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -192.004 13.3979 6.05528 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3174 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.068 13.3979 6.05528 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -218.77 13.3979 6.05528 0.154 protocols.relax.FastRelax: CMD: min -266.278 13.4249 6.23112 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.278 13.4249 6.23112 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -224.648 13.4249 6.23112 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2874 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.141 13.4249 6.23112 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -222.885 13.4249 6.23112 0.31955 protocols.relax.FastRelax: CMD: min -233.54 13.4585 6.14085 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -233.54 13.4585 6.14085 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -191.217 13.4585 6.14085 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -190.706 13.4585 6.14085 0.55 protocols.relax.FastRelax: CMD: min -215.591 13.4501 6.64164 0.55 protocols.relax.FastRelax: MRP: 1 -215.591 -215.591 13.4501 6.64164 protocols.relax.FastRelax: CMD: accept_to_best -215.591 13.4501 6.64164 0.55 protocols.relax.FastRelax: CMD: endrepeat -215.591 13.4501 6.64164 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -215.591 13.4501 6.64164 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -278.717 13.4501 6.64164 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3026 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -297.947 13.4501 6.64164 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -295.219 13.4501 6.64164 0.02805 protocols.relax.FastRelax: CMD: min -347.711 13.3285 7.08185 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -347.711 13.3285 7.08185 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.653 13.3285 7.08185 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3137 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.383 13.3285 7.08185 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.025 13.3285 7.08185 0.154 protocols.relax.FastRelax: CMD: min -274.994 13.4473 6.96946 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -274.994 13.4473 6.96946 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -229.205 13.4473 6.96946 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2891 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.591 13.4473 6.96946 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.989 13.4473 6.96946 0.31955 protocols.relax.FastRelax: CMD: min -242.918 13.4276 6.81893 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.918 13.4276 6.81893 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -198.599 13.4276 6.81893 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2838 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.371 13.4276 6.81893 0.55 protocols.relax.FastRelax: CMD: min -219.383 13.4389 6.64762 0.55 protocols.relax.FastRelax: MRP: 2 -219.383 -219.383 13.4389 6.64762 protocols.relax.FastRelax: CMD: accept_to_best -219.383 13.4389 6.64762 0.55 protocols.relax.FastRelax: CMD: endrepeat -219.383 13.4389 6.64762 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -219.383 13.4389 6.64762 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.329 13.4389 6.64762 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3016 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -298.878 13.4389 6.64762 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -294.967 13.4389 6.64762 0.02805 protocols.relax.FastRelax: CMD: min -347.646 13.224 7.16886 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -347.646 13.224 7.16886 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -208.77 13.224 7.16886 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3272 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.87 13.224 7.16886 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.461 13.224 7.16886 0.154 protocols.relax.FastRelax: CMD: min -283.269 13.2619 6.95075 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -283.269 13.2619 6.95075 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -238.985 13.2619 6.95075 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2882 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.456 13.2619 6.95075 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -235.979 13.2619 6.95075 0.31955 protocols.relax.FastRelax: CMD: min -243.647 13.3262 6.88191 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -243.647 13.3262 6.88191 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -194.448 13.3262 6.88191 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2802 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -195.579 13.3262 6.88191 0.55 protocols.relax.FastRelax: CMD: min -222.648 13.2182 6.63162 0.55 protocols.relax.FastRelax: MRP: 3 -222.648 -222.648 13.2182 6.63162 protocols.relax.FastRelax: CMD: accept_to_best -222.648 13.2182 6.63162 0.55 protocols.relax.FastRelax: CMD: endrepeat -222.648 13.2182 6.63162 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -222.648 13.2182 6.63162 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -285.353 13.2182 6.63162 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2825 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -294.657 13.2182 6.63162 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -290.397 13.2182 6.63162 0.02805 protocols.relax.FastRelax: CMD: min -340.609 13.1328 6.91079 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -340.609 13.1328 6.91079 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -219.076 13.1328 6.91079 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3223 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -246.684 13.1328 6.91079 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -241.362 13.1328 6.91079 0.154 protocols.relax.FastRelax: CMD: min -279.083 13.1798 6.73378 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -279.083 13.1798 6.73378 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -234.326 13.1798 6.73378 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2989 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.826 13.1798 6.73378 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -233.496 13.1798 6.73378 0.31955 protocols.relax.FastRelax: CMD: min -244.388 13.2682 6.63345 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.388 13.2682 6.63345 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -204.131 13.2682 6.63345 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2814 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -204.351 13.2682 6.63345 0.55 protocols.relax.FastRelax: CMD: min -219.613 13.261 6.86101 0.55 protocols.relax.FastRelax: MRP: 4 -219.613 -222.648 13.2182 6.63162 protocols.relax.FastRelax: CMD: accept_to_best -219.613 13.261 6.86101 0.55 protocols.relax.FastRelax: CMD: endrepeat -219.613 13.261 6.86101 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_44.pdb protocols.relax.FastRelax: CMD: repeat 76194.4 13.5311 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 76194.4 13.5311 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7415.17 13.5311 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2864 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -15.9772 13.5311 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 33.702 13.5311 0 0.02805 protocols.relax.FastRelax: CMD: min -236.485 13.3846 3.50489 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -236.485 13.3846 3.50489 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -58.2468 13.3846 3.50489 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2775 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -107.502 13.3846 3.50489 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -98.5557 13.3846 3.50489 0.154 protocols.relax.FastRelax: CMD: min -203.031 13.7262 3.70072 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -203.031 13.7262 3.70072 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -147.612 13.7262 3.70072 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2807 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -153.418 13.7262 3.70072 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -149.368 13.7262 3.70072 0.31955 protocols.relax.FastRelax: CMD: min -173.597 13.8383 3.28845 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -173.597 13.8383 3.28845 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -126.506 13.8383 3.28845 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2657 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -127.045 13.8383 3.28845 0.55 protocols.relax.FastRelax: CMD: min -191.942 14.0805 3.84304 0.55 protocols.relax.FastRelax: MRP: 0 -191.942 -191.942 14.0805 3.84304 protocols.relax.FastRelax: CMD: accept_to_best -191.942 14.0805 3.84304 0.55 protocols.relax.FastRelax: CMD: endrepeat -191.942 14.0805 3.84304 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -191.942 14.0805 3.84304 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -253.952 14.0805 3.84304 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2644 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.993 14.0805 3.84304 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -273.823 14.0805 3.84304 0.02805 protocols.relax.FastRelax: CMD: min -316.329 13.5299 3.84681 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -316.329 13.5299 3.84681 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -193.157 13.5299 3.84681 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2781 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.489 13.5299 3.84681 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -215.463 13.5299 3.84681 0.154 protocols.relax.FastRelax: CMD: min -266.728 13.9516 3.8556 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.728 13.9516 3.8556 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -226.714 13.9516 3.8556 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2582 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.226 13.9516 3.8556 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -224.075 13.9516 3.8556 0.31955 protocols.relax.FastRelax: CMD: min -235.181 14.0981 3.81765 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.181 14.0981 3.81765 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -193.181 14.0981 3.81765 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2433 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.266 14.0981 3.81765 0.55 protocols.relax.FastRelax: CMD: min -216.629 13.9346 4.02998 0.55 protocols.relax.FastRelax: MRP: 1 -216.629 -216.629 13.9346 4.02998 protocols.relax.FastRelax: CMD: accept_to_best -216.629 13.9346 4.02998 0.55 protocols.relax.FastRelax: CMD: endrepeat -216.629 13.9346 4.02998 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -216.629 13.9346 4.02998 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -278.124 13.9346 4.02998 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2543 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -286.614 13.9346 4.02998 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -283.071 13.9346 4.02998 0.02805 protocols.relax.FastRelax: CMD: min -316.786 13.4819 4.38911 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -316.786 13.4819 4.38911 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -170.723 13.4819 4.38911 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2716 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.801 13.4819 4.38911 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -207.846 13.4819 4.38911 0.154 protocols.relax.FastRelax: CMD: min -258.195 13.6887 3.97065 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.195 13.6887 3.97065 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -217.274 13.6887 3.97065 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2501 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.986 13.6887 3.97065 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -215.902 13.6887 3.97065 0.31955 protocols.relax.FastRelax: CMD: min -227.021 13.6534 3.92877 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -227.021 13.6534 3.92877 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -183.856 13.6534 3.92877 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2499 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.11 13.6534 3.92877 0.55 protocols.relax.FastRelax: CMD: min -210.745 13.345 4.08209 0.55 protocols.relax.FastRelax: MRP: 2 -210.745 -216.629 13.9346 4.02998 protocols.relax.FastRelax: CMD: accept_to_best -210.745 13.345 4.08209 0.55 protocols.relax.FastRelax: CMD: endrepeat -210.745 13.345 4.08209 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -210.745 13.345 4.08209 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -270.772 13.345 4.08209 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2779 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -288.74 13.345 4.08209 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.753 13.345 4.08209 0.02805 protocols.relax.FastRelax: CMD: min -332.32 13.3722 4.13221 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -332.32 13.3722 4.13221 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -195.201 13.3722 4.13221 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2710 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.972 13.3722 4.13221 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -223.754 13.3722 4.13221 0.154 protocols.relax.FastRelax: CMD: min -270.306 13.5276 3.76402 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.306 13.5276 3.76402 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -227.239 13.5276 3.76402 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2500 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -228.482 13.5276 3.76402 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -225.148 13.5276 3.76402 0.31955 protocols.relax.FastRelax: CMD: min -237.222 13.5088 3.94661 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -237.222 13.5088 3.94661 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -196.166 13.5088 3.94661 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2438 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -196.538 13.5088 3.94661 0.55 protocols.relax.FastRelax: CMD: min -214.096 13.3944 3.90114 0.55 protocols.relax.FastRelax: MRP: 3 -214.096 -216.629 13.9346 4.02998 protocols.relax.FastRelax: CMD: accept_to_best -214.096 13.3944 3.90114 0.55 protocols.relax.FastRelax: CMD: endrepeat -214.096 13.3944 3.90114 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -214.096 13.3944 3.90114 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -276.123 13.3944 3.90114 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2722 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -287.907 13.3944 3.90114 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.346 13.3944 3.90114 0.02805 protocols.relax.FastRelax: CMD: min -327.596 13.2811 3.94406 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -327.596 13.2811 3.94406 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.177 13.2811 3.94406 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2792 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -237.9 13.2811 3.94406 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -232.637 13.2811 3.94406 0.154 protocols.relax.FastRelax: CMD: min -270.484 13.4904 3.90351 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.484 13.4904 3.90351 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -228.649 13.4904 3.90351 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2526 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.03 13.4904 3.90351 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.917 13.4904 3.90351 0.31955 protocols.relax.FastRelax: CMD: min -239.406 13.433 3.85573 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -239.406 13.433 3.85573 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -199.638 13.433 3.85573 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2453 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.435 13.433 3.85573 0.55 protocols.relax.FastRelax: CMD: min -214.982 13.4055 3.88962 0.55 protocols.relax.FastRelax: MRP: 4 -214.982 -216.629 13.9346 4.02998 protocols.relax.FastRelax: CMD: accept_to_best -214.982 13.4055 3.88962 0.55 protocols.relax.FastRelax: CMD: endrepeat -214.982 13.4055 3.88962 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_42.pdb protocols.relax.FastRelax: CMD: repeat 70109.1 14.1367 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70109.1 14.1367 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7677.55 14.1367 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2679 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 100.394 14.1367 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 112.038 14.1367 0 0.02805 protocols.relax.FastRelax: CMD: min -209.151 13.6522 3.8474 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -209.151 13.6522 3.8474 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 142.156 13.6522 3.8474 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2660 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -7.31761 13.6522 3.8474 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 7.60526 13.6522 3.8474 0.154 protocols.relax.FastRelax: CMD: min -196.303 14.0043 2.88662 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -196.303 14.0043 2.88662 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -149.207 14.0043 2.88662 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2424 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -154.517 14.0043 2.88662 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -150.998 14.0043 2.88662 0.31955 protocols.relax.FastRelax: CMD: min -154.104 13.9736 2.85368 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -154.104 13.9736 2.85368 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -90.782 13.9736 2.85368 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2331 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -90.9388 13.9736 2.85368 0.55 protocols.relax.FastRelax: CMD: min -168.84 14.0632 2.85637 0.55 protocols.relax.FastRelax: MRP: 0 -168.84 -168.84 14.0632 2.85637 protocols.relax.FastRelax: CMD: accept_to_best -168.84 14.0632 2.85637 0.55 protocols.relax.FastRelax: CMD: endrepeat -168.84 14.0632 2.85637 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -168.84 14.0632 2.85637 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -231.9 14.0632 2.85637 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2510 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.292 14.0632 2.85637 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -240.739 14.0632 2.85637 0.02805 protocols.relax.FastRelax: CMD: min -283.412 13.9409 2.91698 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -283.412 13.9409 2.91698 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -184.338 13.9409 2.91698 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2868 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.415 13.9409 2.91698 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -194.226 13.9409 2.91698 0.154 protocols.relax.FastRelax: CMD: min -229.631 13.9961 2.9141 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -229.631 13.9961 2.9141 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -189.497 13.9961 2.9141 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2549 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -190.52 13.9961 2.9141 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -187.45 13.9961 2.9141 0.31955 protocols.relax.FastRelax: CMD: min -195.761 14.0159 3.03636 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -195.761 14.0159 3.03636 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -150.41 14.0159 3.03636 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2426 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -150.224 14.0159 3.03636 0.55 protocols.relax.FastRelax: CMD: min -177.941 13.7886 3.14504 0.55 protocols.relax.FastRelax: MRP: 1 -177.941 -177.941 13.7886 3.14504 protocols.relax.FastRelax: CMD: accept_to_best -177.941 13.7886 3.14504 0.55 protocols.relax.FastRelax: CMD: endrepeat -177.941 13.7886 3.14504 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -177.941 13.7886 3.14504 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -241.359 13.7886 3.14504 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2638 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -256.351 13.7886 3.14504 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -254.578 13.7886 3.14504 0.02805 protocols.relax.FastRelax: CMD: min -297.065 13.7141 3.10267 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -297.065 13.7141 3.10267 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -181.036 13.7141 3.10267 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3234 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.979 13.7141 3.10267 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -196.026 13.7141 3.10267 0.154 protocols.relax.FastRelax: CMD: min -243.474 13.7809 3.28195 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -243.474 13.7809 3.28195 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -200.758 13.7809 3.28195 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2757 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.807 13.7809 3.28195 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -197.447 13.7809 3.28195 0.31955 protocols.relax.FastRelax: CMD: min -208.358 13.86 3.49616 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -208.358 13.86 3.49616 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -164.829 13.86 3.49616 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2582 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.047 13.86 3.49616 0.55 protocols.relax.FastRelax: CMD: min -185.005 13.816 3.57472 0.55 protocols.relax.FastRelax: MRP: 2 -185.005 -185.005 13.816 3.57472 protocols.relax.FastRelax: CMD: accept_to_best -185.005 13.816 3.57472 0.55 protocols.relax.FastRelax: CMD: endrepeat -185.005 13.816 3.57472 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -185.005 13.816 3.57472 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -249.65 13.816 3.57472 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2665 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -259.172 13.816 3.57472 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -257.288 13.816 3.57472 0.02805 protocols.relax.FastRelax: CMD: min -294.052 13.6633 3.12643 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -294.052 13.6633 3.12643 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -203.381 13.6633 3.12643 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3119 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.393 13.6633 3.12643 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -211.549 13.6633 3.12643 0.154 protocols.relax.FastRelax: CMD: min -243.949 13.7 3.32581 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -243.949 13.7 3.32581 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -203.597 13.7 3.32581 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2878 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -204.458 13.7 3.32581 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -201.37 13.7 3.32581 0.31955 protocols.relax.FastRelax: CMD: min -208.239 13.8008 3.56285 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -208.239 13.8008 3.56285 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -163.595 13.8008 3.56285 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2564 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.194 13.8008 3.56285 0.55 protocols.relax.FastRelax: CMD: min -185.518 13.7755 3.68607 0.55 protocols.relax.FastRelax: MRP: 3 -185.518 -185.518 13.7755 3.68607 protocols.relax.FastRelax: CMD: accept_to_best -185.518 13.7755 3.68607 0.55 protocols.relax.FastRelax: CMD: endrepeat -185.518 13.7755 3.68607 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -185.518 13.7755 3.68607 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -250.643 13.7755 3.68607 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2598 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.808 13.7755 3.68607 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -256.787 13.7755 3.68607 0.02805 protocols.relax.FastRelax: CMD: min -300.084 13.5726 2.88055 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -300.084 13.5726 2.88055 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -183.545 13.5726 2.88055 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3082 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.532 13.5726 2.88055 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -197.676 13.5726 2.88055 0.154 protocols.relax.FastRelax: CMD: min -242.452 13.685 3.36736 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -242.452 13.685 3.36736 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -200.189 13.685 3.36736 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2942 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.708 13.685 3.36736 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -197.405 13.685 3.36736 0.31955 protocols.relax.FastRelax: CMD: min -208.394 13.7138 3.61706 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -208.394 13.7138 3.61706 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -165.446 13.7138 3.61706 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2576 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.654 13.7138 3.61706 0.55 protocols.relax.FastRelax: CMD: min -184.711 13.7644 3.81414 0.55 protocols.relax.FastRelax: MRP: 4 -184.711 -185.518 13.7755 3.68607 protocols.relax.FastRelax: CMD: accept_to_best -184.711 13.7644 3.81414 0.55 protocols.relax.FastRelax: CMD: endrepeat -184.711 13.7644 3.81414 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_3.pdb protocols.relax.FastRelax: CMD: repeat 78063 13.4607 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 78063 13.4607 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7234.58 13.4607 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3327 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 159.007 13.4607 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 205.968 13.4607 0 0.02805 protocols.relax.FastRelax: CMD: min -268.034 13.1746 3.53949 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -268.034 13.1746 3.53949 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 16.0833 13.1746 3.53949 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3050 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -148.063 13.1746 3.53949 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -138.508 13.1746 3.53949 0.154 protocols.relax.FastRelax: CMD: min -230.48 13.476 4.18062 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -230.48 13.476 4.18062 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -180.745 13.476 4.18062 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2513 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.724 13.476 4.18062 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -180.907 13.476 4.18062 0.31955 protocols.relax.FastRelax: CMD: min -196.389 13.761 4.20694 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -196.389 13.761 4.20694 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -149.313 13.761 4.20694 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2551 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -149.33 13.761 4.20694 0.55 protocols.relax.FastRelax: CMD: min -197.872 14.1809 5.47694 0.55 protocols.relax.FastRelax: MRP: 0 -197.872 -197.872 14.1809 5.47694 protocols.relax.FastRelax: CMD: accept_to_best -197.872 14.1809 5.47694 0.55 protocols.relax.FastRelax: CMD: endrepeat -197.872 14.1809 5.47694 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -197.872 14.1809 5.47694 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -262.635 14.1809 5.47694 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3114 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.439 14.1809 5.47694 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.861 14.1809 5.47694 0.02805 protocols.relax.FastRelax: CMD: min -329.426 14.0233 5.11256 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -329.426 14.0233 5.11256 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -192.227 14.0233 5.11256 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2818 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.36 14.0233 5.11256 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -202.807 14.0233 5.11256 0.154 protocols.relax.FastRelax: CMD: min -266.858 14.1625 5.69014 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.858 14.1625 5.69014 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -222.372 14.1625 5.69014 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2611 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.341 14.1625 5.69014 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -219.885 14.1625 5.69014 0.31955 protocols.relax.FastRelax: CMD: min -231.448 14.3167 5.86937 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -231.448 14.3167 5.86937 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -184.915 14.3167 5.86937 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2690 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -186.422 14.3167 5.86937 0.55 protocols.relax.FastRelax: CMD: min -214.396 14.2855 5.91632 0.55 protocols.relax.FastRelax: MRP: 1 -214.396 -214.396 14.2855 5.91632 protocols.relax.FastRelax: CMD: accept_to_best -214.396 14.2855 5.91632 0.55 protocols.relax.FastRelax: CMD: endrepeat -214.396 14.2855 5.91632 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -214.396 14.2855 5.91632 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -278.372 14.2855 5.91632 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3252 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -288.415 14.2855 5.91632 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -285.579 14.2855 5.91632 0.02805 protocols.relax.FastRelax: CMD: min -336.094 13.8401 5.11053 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -336.094 13.8401 5.11053 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -195.106 13.8401 5.11053 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3001 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.421 13.8401 5.11053 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -208.793 13.8401 5.11053 0.154 protocols.relax.FastRelax: CMD: min -275.032 14.0671 5.64759 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -275.032 14.0671 5.64759 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -230.881 14.0671 5.64759 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2838 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.469 14.0671 5.64759 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -228.038 14.0671 5.64759 0.31955 protocols.relax.FastRelax: CMD: min -234.398 14.1889 5.8752 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -234.398 14.1889 5.8752 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -183.84 14.1889 5.8752 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2707 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -186.182 14.1889 5.8752 0.55 protocols.relax.FastRelax: CMD: min -217.715 14.2768 5.9551 0.55 protocols.relax.FastRelax: MRP: 2 -217.715 -217.715 14.2768 5.9551 protocols.relax.FastRelax: CMD: accept_to_best -217.715 14.2768 5.9551 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.715 14.2768 5.9551 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.715 14.2768 5.9551 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.207 14.2768 5.9551 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3218 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -290.96 14.2768 5.9551 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -288.49 14.2768 5.9551 0.02805 protocols.relax.FastRelax: CMD: min -336.787 13.7798 5.07086 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -336.787 13.7798 5.07086 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -207.496 13.7798 5.07086 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2829 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.848 13.7798 5.07086 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -222.891 13.7798 5.07086 0.154 protocols.relax.FastRelax: CMD: min -275.991 14.0953 5.85564 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -275.991 14.0953 5.85564 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -230.545 14.0953 5.85564 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2795 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.439 14.0953 5.85564 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.034 14.0953 5.85564 0.31955 protocols.relax.FastRelax: CMD: min -244.222 14.2553 6.10657 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.222 14.2553 6.10657 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -203.257 14.2553 6.10657 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2632 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.493 14.2553 6.10657 0.55 protocols.relax.FastRelax: CMD: min -217.797 14.2875 6.03656 0.55 protocols.relax.FastRelax: MRP: 3 -217.797 -217.797 14.2875 6.03656 protocols.relax.FastRelax: CMD: accept_to_best -217.797 14.2875 6.03656 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.797 14.2875 6.03656 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.797 14.2875 6.03656 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.153 14.2875 6.03656 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3218 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -290.739 14.2875 6.03656 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -288.662 14.2875 6.03656 0.02805 protocols.relax.FastRelax: CMD: min -329.36 13.8458 5.57481 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -329.36 13.8458 5.57481 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -208.76 13.8458 5.57481 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3051 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.035 13.8458 5.57481 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -225.625 13.8458 5.57481 0.154 protocols.relax.FastRelax: CMD: min -277.925 14.0924 5.87071 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -277.925 14.0924 5.87071 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -236.744 14.0924 5.87071 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2842 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.035 14.0924 5.87071 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -234.859 14.0924 5.87071 0.31955 protocols.relax.FastRelax: CMD: min -241.747 14.1817 6.09891 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -241.747 14.1817 6.09891 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -198.121 14.1817 6.09891 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2736 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -198.978 14.1817 6.09891 0.55 protocols.relax.FastRelax: CMD: min -219.682 14.2775 6.26193 0.55 protocols.relax.FastRelax: MRP: 4 -219.682 -219.682 14.2775 6.26193 protocols.relax.FastRelax: CMD: accept_to_best -219.682 14.2775 6.26193 0.55 protocols.relax.FastRelax: CMD: endrepeat -219.682 14.2775 6.26193 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_2.pdb protocols.relax.FastRelax: CMD: repeat 67880.3 13.4412 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 67880.3 13.4412 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7054.41 13.4412 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2494 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -116.149 13.4412 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -100.529 13.4412 0 0.02805 protocols.relax.FastRelax: CMD: min -276.453 14.1915 3.93393 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -276.453 14.1915 3.93393 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -141.834 14.1915 3.93393 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2794 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -167.328 14.1915 3.93393 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -160.209 14.1915 3.93393 0.154 protocols.relax.FastRelax: CMD: min -228.061 14.116 3.73595 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -228.061 14.116 3.73595 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -181.853 14.116 3.73595 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2580 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -182.824 14.116 3.73595 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -179.244 14.116 3.73595 0.31955 protocols.relax.FastRelax: CMD: min -191.499 14.172 3.78157 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -191.499 14.172 3.78157 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -144.762 14.172 3.78157 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2584 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -148.887 14.172 3.78157 0.55 protocols.relax.FastRelax: CMD: min -200.278 14.1757 5.0631 0.55 protocols.relax.FastRelax: MRP: 0 -200.278 -200.278 14.1757 5.0631 protocols.relax.FastRelax: CMD: accept_to_best -200.278 14.1757 5.0631 0.55 protocols.relax.FastRelax: CMD: endrepeat -200.278 14.1757 5.0631 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -200.278 14.1757 5.0631 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -260.202 14.1757 5.0631 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3070 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.47 14.1757 5.0631 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -267.126 14.1757 5.0631 0.02805 protocols.relax.FastRelax: CMD: min -323.482 13.9713 5.99038 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -323.482 13.9713 5.99038 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -198.425 13.9713 5.99038 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3085 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.723 13.9713 5.99038 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -211.728 13.9713 5.99038 0.154 protocols.relax.FastRelax: CMD: min -257.182 13.8715 5.75784 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -257.182 13.8715 5.75784 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -212.392 13.8715 5.75784 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3051 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -215.16 13.8715 5.75784 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -211.777 13.8715 5.75784 0.31955 protocols.relax.FastRelax: CMD: min -235.467 13.8586 5.84831 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.467 13.8586 5.84831 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -197.429 13.8586 5.84831 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2927 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -198.093 13.8586 5.84831 0.55 protocols.relax.FastRelax: CMD: min -223.878 14.0826 6.21758 0.55 protocols.relax.FastRelax: MRP: 1 -223.878 -223.878 14.0826 6.21758 protocols.relax.FastRelax: CMD: accept_to_best -223.878 14.0826 6.21758 0.55 protocols.relax.FastRelax: CMD: endrepeat -223.878 14.0826 6.21758 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -223.878 14.0826 6.21758 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -286.599 14.0826 6.21758 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3380 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -299.415 14.0826 6.21758 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -296.743 14.0826 6.21758 0.02805 protocols.relax.FastRelax: CMD: min -352.656 13.9522 6.64085 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -352.656 13.9522 6.64085 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -209.85 13.9522 6.64085 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3391 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.979 13.9522 6.64085 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -213.596 13.9522 6.64085 0.154 protocols.relax.FastRelax: CMD: min -280.456 14.0583 6.45094 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -280.456 14.0583 6.45094 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -231.311 14.0583 6.45094 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3184 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.742 14.0583 6.45094 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.943 14.0583 6.45094 0.31955 protocols.relax.FastRelax: CMD: min -255.388 14.0984 6.39307 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -255.388 14.0984 6.39307 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -215.211 14.0984 6.39307 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3163 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -215.592 14.0984 6.39307 0.55 protocols.relax.FastRelax: CMD: min -234.466 14.1532 6.25225 0.55 protocols.relax.FastRelax: MRP: 2 -234.466 -234.466 14.1532 6.25225 protocols.relax.FastRelax: CMD: accept_to_best -234.466 14.1532 6.25225 0.55 protocols.relax.FastRelax: CMD: endrepeat -234.466 14.1532 6.25225 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -234.466 14.1532 6.25225 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -298.223 14.1532 6.25225 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3416 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -306.257 14.1532 6.25225 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -304.469 14.1532 6.25225 0.02805 protocols.relax.FastRelax: CMD: min -349.565 13.9519 6.59712 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -349.565 13.9519 6.59712 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -229.614 13.9519 6.59712 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3248 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.4 13.9519 6.59712 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -234.336 13.9519 6.59712 0.154 protocols.relax.FastRelax: CMD: min -291.352 14.0427 6.45455 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -291.352 14.0427 6.45455 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -249.94 14.0427 6.45455 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3119 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -251.845 14.0427 6.45455 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -248.669 14.0427 6.45455 0.31955 protocols.relax.FastRelax: CMD: min -259.72 14.1094 6.40168 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -259.72 14.1094 6.40168 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -218.242 14.1094 6.40168 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3035 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.436 14.1094 6.40168 0.55 protocols.relax.FastRelax: CMD: min -235.404 14.1624 6.25311 0.55 protocols.relax.FastRelax: MRP: 3 -235.404 -235.404 14.1624 6.25311 protocols.relax.FastRelax: CMD: accept_to_best -235.404 14.1624 6.25311 0.55 protocols.relax.FastRelax: CMD: endrepeat -235.404 14.1624 6.25311 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -235.404 14.1624 6.25311 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -298.9 14.1624 6.25311 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3344 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -306.854 14.1624 6.25311 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -304.876 14.1624 6.25311 0.02805 protocols.relax.FastRelax: CMD: min -344.62 13.9838 6.55168 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -344.62 13.9838 6.55168 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -218.073 13.9838 6.55168 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3377 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.284 13.9838 6.55168 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.936 13.9838 6.55168 0.154 protocols.relax.FastRelax: CMD: min -286.139 14.0668 6.47917 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -286.139 14.0668 6.47917 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -245.741 14.0668 6.47917 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3102 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -247.338 14.0668 6.47917 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -244.081 14.0668 6.47917 0.31955 protocols.relax.FastRelax: CMD: min -255.611 14.1628 6.45028 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -255.611 14.1628 6.45028 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -214.909 14.1628 6.45028 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3010 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.028 14.1628 6.45028 0.55 protocols.relax.FastRelax: CMD: min -234.329 14.1487 6.26204 0.55 protocols.relax.FastRelax: MRP: 4 -234.329 -235.404 14.1624 6.25311 protocols.relax.FastRelax: CMD: accept_to_best -234.329 14.1487 6.26204 0.55 protocols.relax.FastRelax: CMD: endrepeat -234.329 14.1487 6.26204 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_34.pdb protocols.relax.FastRelax: CMD: repeat 69585.7 13.2658 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69585.7 13.2658 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6897.23 13.2658 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2584 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 85.4293 13.2658 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 101.109 13.2658 0 0.02805 protocols.relax.FastRelax: CMD: min -267.782 12.5368 4.09643 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -267.782 12.5368 4.09643 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -123.589 12.5368 4.09643 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2637 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -147.188 12.5368 4.09643 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -139.868 12.5368 4.09643 0.154 protocols.relax.FastRelax: CMD: min -203.642 13.1584 3.29497 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -203.642 13.1584 3.29497 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -156.866 13.1584 3.29497 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2484 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -160.512 13.1584 3.29497 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -156.898 13.1584 3.29497 0.31955 protocols.relax.FastRelax: CMD: min -172.008 13.4246 3.45531 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -172.008 13.4246 3.45531 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -128.273 13.4246 3.45531 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2148 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.559 13.4246 3.45531 0.55 protocols.relax.FastRelax: CMD: min -201.879 14.0998 3.23428 0.55 protocols.relax.FastRelax: MRP: 0 -201.879 -201.879 14.0998 3.23428 protocols.relax.FastRelax: CMD: accept_to_best -201.879 14.0998 3.23428 0.55 protocols.relax.FastRelax: CMD: endrepeat -201.879 14.0998 3.23428 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -201.879 14.0998 3.23428 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -260.269 14.0998 3.23428 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2515 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -275.079 14.0998 3.23428 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -273.023 14.0998 3.23428 0.02805 protocols.relax.FastRelax: CMD: min -330.47 13.1946 3.29568 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -330.47 13.1946 3.29568 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -194.515 13.1946 3.29568 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3099 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -215.686 13.1946 3.29568 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -208.735 13.1946 3.29568 0.154 protocols.relax.FastRelax: CMD: min -270.609 13.222 3.20215 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.609 13.222 3.20215 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -228.721 13.222 3.20215 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2798 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.302 13.222 3.20215 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -225.971 13.222 3.20215 0.31955 protocols.relax.FastRelax: CMD: min -235.707 13.2481 3.09601 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.707 13.2481 3.09601 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -192.984 13.2481 3.09601 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2692 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.628 13.2481 3.09601 0.55 protocols.relax.FastRelax: CMD: min -220.885 13.3562 3.0801 0.55 protocols.relax.FastRelax: MRP: 1 -220.885 -220.885 13.3562 3.0801 protocols.relax.FastRelax: CMD: accept_to_best -220.885 13.3562 3.0801 0.55 protocols.relax.FastRelax: CMD: endrepeat -220.885 13.3562 3.0801 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -220.885 13.3562 3.0801 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -280.672 13.3562 3.0801 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2934 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -287.579 13.3562 3.0801 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.913 13.3562 3.0801 0.02805 protocols.relax.FastRelax: CMD: min -331.559 13.0528 4.02622 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -331.559 13.0528 4.02622 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -219.73 13.0528 4.02622 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3201 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.806 13.0528 4.02622 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -232.827 13.0528 4.02622 0.154 protocols.relax.FastRelax: CMD: min -277.014 13.1236 3.56052 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -277.014 13.1236 3.56052 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.839 13.1236 3.56052 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2900 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.295 13.1236 3.56052 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -233.04 13.1236 3.56052 0.31955 protocols.relax.FastRelax: CMD: min -245.128 13.1609 3.38096 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -245.128 13.1609 3.38096 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -205.7 13.1609 3.38096 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2651 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.722 13.1609 3.38096 0.55 protocols.relax.FastRelax: CMD: min -220.779 13.337 3.30941 0.55 protocols.relax.FastRelax: MRP: 2 -220.779 -220.885 13.3562 3.0801 protocols.relax.FastRelax: CMD: accept_to_best -220.779 13.337 3.30941 0.55 protocols.relax.FastRelax: CMD: endrepeat -220.779 13.337 3.30941 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -220.779 13.337 3.30941 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.734 13.337 3.30941 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2974 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -291.776 13.337 3.30941 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -290.144 13.337 3.30941 0.02805 protocols.relax.FastRelax: CMD: min -338.689 12.9813 4.02982 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -338.689 12.9813 4.02982 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -227.338 12.9813 4.02982 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3118 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.618 12.9813 4.02982 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -236.246 12.9813 4.02982 0.154 protocols.relax.FastRelax: CMD: min -282.685 13.0485 3.71548 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -282.685 13.0485 3.71548 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -241.059 13.0485 3.71548 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2858 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.333 13.0485 3.71548 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -238.048 13.0485 3.71548 0.31955 protocols.relax.FastRelax: CMD: min -247.23 13.0796 3.54493 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -247.23 13.0796 3.54493 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -201.912 13.0796 3.54493 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2806 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.925 13.0796 3.54493 0.55 protocols.relax.FastRelax: CMD: min -225.211 13.1288 3.60878 0.55 protocols.relax.FastRelax: MRP: 3 -225.211 -225.211 13.1288 3.60878 protocols.relax.FastRelax: CMD: accept_to_best -225.211 13.1288 3.60878 0.55 protocols.relax.FastRelax: CMD: endrepeat -225.211 13.1288 3.60878 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -225.211 13.1288 3.60878 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -287.917 13.1288 3.60878 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2922 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -293.755 13.1288 3.60878 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -292.17 13.1288 3.60878 0.02805 protocols.relax.FastRelax: CMD: min -330.608 12.9681 4.2719 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -330.608 12.9681 4.2719 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.727 12.9681 4.2719 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3111 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -246.705 12.9681 4.2719 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -241.357 12.9681 4.2719 0.154 protocols.relax.FastRelax: CMD: min -280.121 12.984 3.86268 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -280.121 12.984 3.86268 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -240.885 12.984 3.86268 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2983 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.404 12.984 3.86268 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -238.306 12.984 3.86268 0.31955 protocols.relax.FastRelax: CMD: min -247.924 13.0857 3.71096 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -247.924 13.0857 3.71096 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.361 13.0857 3.71096 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2840 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.392 13.0857 3.71096 0.55 protocols.relax.FastRelax: CMD: min -224.136 13.2449 3.65429 0.55 protocols.relax.FastRelax: MRP: 4 -224.136 -225.211 13.1288 3.60878 protocols.relax.FastRelax: CMD: accept_to_best -224.136 13.2449 3.65429 0.55 protocols.relax.FastRelax: CMD: endrepeat -224.136 13.2449 3.65429 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_26.pdb protocols.relax.FastRelax: CMD: repeat 69005.7 14.4411 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69005.7 14.4411 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7932.31 14.4411 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2579 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -119.564 14.4411 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -108.604 14.4411 0 0.02805 protocols.relax.FastRelax: CMD: min -241.892 13.9162 2.25184 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -241.892 13.9162 2.25184 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -109.103 13.9162 2.25184 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2471 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -161.042 13.9162 2.25184 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -156.214 13.9162 2.25184 0.154 protocols.relax.FastRelax: CMD: min -232.42 13.6392 3.02042 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -232.42 13.6392 3.02042 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -194.95 13.6392 3.02042 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2407 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.113 13.6392 3.02042 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -194.181 13.6392 3.02042 0.31955 protocols.relax.FastRelax: CMD: min -206.561 13.7079 2.95103 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -206.561 13.7079 2.95103 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -170.782 13.7079 2.95103 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2257 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -171.31 13.7079 2.95103 0.55 protocols.relax.FastRelax: CMD: min -207.115 13.4195 3.28473 0.55 protocols.relax.FastRelax: MRP: 0 -207.115 -207.115 13.4195 3.28473 protocols.relax.FastRelax: CMD: accept_to_best -207.115 13.4195 3.28473 0.55 protocols.relax.FastRelax: CMD: endrepeat -207.115 13.4195 3.28473 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -207.115 13.4195 3.28473 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -267.413 13.4195 3.28473 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2532 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -276.998 13.4195 3.28473 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.134 13.4195 3.28473 0.02805 protocols.relax.FastRelax: CMD: min -314.435 13.2802 3.50426 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -314.435 13.2802 3.50426 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -196.509 13.2802 3.50426 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2734 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.071 13.2802 3.50426 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -229.218 13.2802 3.50426 0.154 protocols.relax.FastRelax: CMD: min -273.961 13.1706 3.51922 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -273.961 13.1706 3.51922 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -233.618 13.1706 3.51922 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2556 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.888 13.1706 3.51922 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -232.749 13.1706 3.51922 0.31955 protocols.relax.FastRelax: CMD: min -246.207 13.1329 3.5501 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -246.207 13.1329 3.5501 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -206.02 13.1329 3.5501 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2400 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -206.456 13.1329 3.5501 0.55 protocols.relax.FastRelax: CMD: min -228.521 13.1162 3.46687 0.55 protocols.relax.FastRelax: MRP: 1 -228.521 -228.521 13.1162 3.46687 protocols.relax.FastRelax: CMD: accept_to_best -228.521 13.1162 3.46687 0.55 protocols.relax.FastRelax: CMD: endrepeat -228.521 13.1162 3.46687 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -228.521 13.1162 3.46687 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -293.257 13.1162 3.46687 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2832 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -301.419 13.1162 3.46687 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -298.738 13.1162 3.46687 0.02805 protocols.relax.FastRelax: CMD: min -353.071 13.0562 3.75541 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -353.071 13.0562 3.75541 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -219.253 13.0562 3.75541 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3171 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.405 13.0562 3.75541 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -224.912 13.0562 3.75541 0.154 protocols.relax.FastRelax: CMD: min -294.08 13.1172 3.60265 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -294.08 13.1172 3.60265 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -251.275 13.1172 3.60265 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2712 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -251.958 13.1172 3.60265 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -248.634 13.1172 3.60265 0.31955 protocols.relax.FastRelax: CMD: min -257.362 13.1433 3.46768 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -257.362 13.1433 3.46768 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -214.477 13.1433 3.46768 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2653 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -215.626 13.1433 3.46768 0.55 protocols.relax.FastRelax: CMD: min -238.139 13.1499 3.46449 0.55 protocols.relax.FastRelax: MRP: 2 -238.139 -238.139 13.1499 3.46449 protocols.relax.FastRelax: CMD: accept_to_best -238.139 13.1499 3.46449 0.55 protocols.relax.FastRelax: CMD: endrepeat -238.139 13.1499 3.46449 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -238.139 13.1499 3.46449 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -303.743 13.1499 3.46449 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2801 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -314.472 13.1499 3.46449 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -312.311 13.1499 3.46449 0.02805 protocols.relax.FastRelax: CMD: min -357.354 13.0174 3.8305 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -357.354 13.0174 3.8305 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -223.755 13.0174 3.8305 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2961 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -248.583 13.0174 3.8305 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -241.818 13.0174 3.8305 0.154 protocols.relax.FastRelax: CMD: min -294.968 13.0767 3.63401 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -294.968 13.0767 3.63401 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -251.804 13.0767 3.63401 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2819 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -253.16 13.0767 3.63401 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -249.741 13.0767 3.63401 0.31955 protocols.relax.FastRelax: CMD: min -259.253 13.0805 3.51484 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -259.253 13.0805 3.51484 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -216.143 13.0805 3.51484 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2685 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.699 13.0805 3.51484 0.55 protocols.relax.FastRelax: CMD: min -238.488 13.1315 3.46106 0.55 protocols.relax.FastRelax: MRP: 3 -238.488 -238.488 13.1315 3.46106 protocols.relax.FastRelax: CMD: accept_to_best -238.488 13.1315 3.46106 0.55 protocols.relax.FastRelax: CMD: endrepeat -238.488 13.1315 3.46106 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -238.488 13.1315 3.46106 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -303.98 13.1315 3.46106 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2864 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -315.532 13.1315 3.46106 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -313.373 13.1315 3.46106 0.02805 protocols.relax.FastRelax: CMD: min -358.009 13.0516 3.79788 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -358.009 13.0516 3.79788 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -222.486 13.0516 3.79788 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3054 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.547 13.0516 3.79788 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -243.67 13.0516 3.79788 0.154 protocols.relax.FastRelax: CMD: min -300.154 13.0954 3.64428 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -300.154 13.0954 3.64428 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -257.343 13.0954 3.64428 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2766 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.519 13.0954 3.64428 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -254.158 13.0954 3.64428 0.31955 protocols.relax.FastRelax: CMD: min -262.295 13.116 3.56618 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -262.295 13.116 3.56618 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -217.186 13.116 3.56618 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2663 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.017 13.116 3.56618 0.55 protocols.relax.FastRelax: CMD: min -242.122 13.1933 3.44998 0.55 protocols.relax.FastRelax: MRP: 4 -242.122 -242.122 13.1933 3.44998 protocols.relax.FastRelax: CMD: accept_to_best -242.122 13.1933 3.44998 0.55 protocols.relax.FastRelax: CMD: endrepeat -242.122 13.1933 3.44998 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_8.pdb protocols.relax.FastRelax: CMD: repeat 78853.9 15.9415 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 78853.9 15.9415 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 8167.07 15.9415 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2747 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 395.228 15.9415 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 421.659 15.9415 0 0.02805 protocols.relax.FastRelax: CMD: min 38.0295 16.0212 7.75243 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 38.0295 16.0212 7.75243 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 1344.97 16.0212 7.75243 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2697 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 554.26 16.0212 7.75243 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 599.928 16.0212 7.75243 0.154 protocols.relax.FastRelax: CMD: min -149.344 16.0537 7.92853 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -149.344 16.0537 7.92853 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -90.9285 16.0537 7.92853 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2335 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.766 16.0537 7.92853 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -111.069 16.0537 7.92853 0.31955 protocols.relax.FastRelax: CMD: min -136.324 16.0633 8.44065 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -136.324 16.0633 8.44065 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -87.7836 16.0633 8.44065 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2066 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -94.5295 16.0633 8.44065 0.55 protocols.relax.FastRelax: CMD: min -176.224 16.3508 9.1075 0.55 protocols.relax.FastRelax: MRP: 0 -176.224 -176.224 16.3508 9.1075 protocols.relax.FastRelax: CMD: accept_to_best -176.224 16.3508 9.1075 0.55 protocols.relax.FastRelax: CMD: endrepeat -176.224 16.3508 9.1075 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -176.224 16.3508 9.1075 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -232.76 16.3508 9.1075 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2892 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.809 16.3508 9.1075 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -248.168 16.3508 9.1075 0.02805 protocols.relax.FastRelax: CMD: min -302.65 16.2047 8.67228 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -302.65 16.2047 8.67228 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -181.245 16.2047 8.67228 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3141 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.933 16.2047 8.67228 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -199.998 16.2047 8.67228 0.154 protocols.relax.FastRelax: CMD: min -244.327 16.3464 8.7819 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -244.327 16.3464 8.7819 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -203.024 16.3464 8.7819 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2822 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.36 16.3464 8.7819 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -200.123 16.3464 8.7819 0.31955 protocols.relax.FastRelax: CMD: min -217.988 16.4005 8.83347 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -217.988 16.4005 8.83347 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -179.254 16.4005 8.83347 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2733 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -179.564 16.4005 8.83347 0.55 protocols.relax.FastRelax: CMD: min -203.907 16.4468 8.54357 0.55 protocols.relax.FastRelax: MRP: 1 -203.907 -203.907 16.4468 8.54357 protocols.relax.FastRelax: CMD: accept_to_best -203.907 16.4468 8.54357 0.55 protocols.relax.FastRelax: CMD: endrepeat -203.907 16.4468 8.54357 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -203.907 16.4468 8.54357 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -263.771 16.4468 8.54357 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2959 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -271.048 16.4468 8.54357 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -269.708 16.4468 8.54357 0.02805 protocols.relax.FastRelax: CMD: min -302.655 16.2858 8.42128 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -302.655 16.2858 8.42128 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -216.453 16.2858 8.42128 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2887 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.599 16.2858 8.42128 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.464 16.2858 8.42128 0.154 protocols.relax.FastRelax: CMD: min -253.692 16.2838 8.57463 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -253.692 16.2838 8.57463 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -215.583 16.2838 8.57463 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2720 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -220.917 16.2838 8.57463 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -217.987 16.2838 8.57463 0.31955 protocols.relax.FastRelax: CMD: min -226.964 16.3732 8.48195 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -226.964 16.3732 8.48195 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -186.109 16.3732 8.48195 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2636 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -186.541 16.3732 8.48195 0.55 protocols.relax.FastRelax: CMD: min -208.705 16.4767 8.49763 0.55 protocols.relax.FastRelax: MRP: 2 -208.705 -208.705 16.4767 8.49763 protocols.relax.FastRelax: CMD: accept_to_best -208.705 16.4767 8.49763 0.55 protocols.relax.FastRelax: CMD: endrepeat -208.705 16.4767 8.49763 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -208.705 16.4767 8.49763 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -268.907 16.4767 8.49763 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2989 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -275.251 16.4767 8.49763 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -273.236 16.4767 8.49763 0.02805 protocols.relax.FastRelax: CMD: min -313.184 16.2554 8.38024 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -313.184 16.2554 8.38024 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -208.501 16.2554 8.38024 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2829 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.652 16.2554 8.38024 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.448 16.2554 8.38024 0.154 protocols.relax.FastRelax: CMD: min -262.376 16.3411 8.47845 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.376 16.3411 8.47845 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -221.573 16.3411 8.47845 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2754 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.437 16.3411 8.47845 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -219.275 16.3411 8.47845 0.31955 protocols.relax.FastRelax: CMD: min -233.642 16.3806 8.49812 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -233.642 16.3806 8.49812 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -194.918 16.3806 8.49812 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2708 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.931 16.3806 8.49812 0.55 protocols.relax.FastRelax: CMD: min -214.506 16.4436 8.48847 0.55 protocols.relax.FastRelax: MRP: 3 -214.506 -214.506 16.4436 8.48847 protocols.relax.FastRelax: CMD: accept_to_best -214.506 16.4436 8.48847 0.55 protocols.relax.FastRelax: CMD: endrepeat -214.506 16.4436 8.48847 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -214.506 16.4436 8.48847 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -276.015 16.4436 8.48847 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3116 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -283.827 16.4436 8.48847 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -282.413 16.4436 8.48847 0.02805 protocols.relax.FastRelax: CMD: min -314.403 16.2192 8.42217 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -314.403 16.2192 8.42217 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -205.885 16.2192 8.42217 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3028 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.322 16.2192 8.42217 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -229.582 16.2192 8.42217 0.154 protocols.relax.FastRelax: CMD: min -265.507 16.3407 8.41588 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -265.507 16.3407 8.41588 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -228.948 16.3407 8.41588 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2807 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.686 16.3407 8.41588 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.797 16.3407 8.41588 0.31955 protocols.relax.FastRelax: CMD: min -236.19 16.4234 8.45867 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -236.19 16.4234 8.45867 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -198.726 16.4234 8.45867 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2792 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.34 16.4234 8.45867 0.55 protocols.relax.FastRelax: CMD: min -212.553 16.4419 8.49494 0.55 protocols.relax.FastRelax: MRP: 4 -212.553 -214.506 16.4436 8.48847 protocols.relax.FastRelax: CMD: accept_to_best -212.553 16.4419 8.49494 0.55 protocols.relax.FastRelax: CMD: endrepeat -212.553 16.4419 8.49494 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_46.pdb protocols.relax.FastRelax: CMD: repeat 65615.8 14.6733 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 65615.8 14.6733 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6954.07 14.6733 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2836 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -79.0242 14.6733 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -52.4749 14.6733 0 0.02805 protocols.relax.FastRelax: CMD: min -252.654 14.0063 2.6265 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -252.654 14.0063 2.6265 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -139.364 14.0063 2.6265 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2570 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -163.269 14.0063 2.6265 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -157.495 14.0063 2.6265 0.154 protocols.relax.FastRelax: CMD: min -218.269 14.8804 2.69259 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -218.269 14.8804 2.69259 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -184.073 14.8804 2.69259 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2309 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.458 14.8804 2.69259 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -181.887 14.8804 2.69259 0.31955 protocols.relax.FastRelax: CMD: min -193.338 14.9052 2.73801 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -193.338 14.9052 2.73801 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -160.007 14.9052 2.73801 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2157 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -160.189 14.9052 2.73801 0.55 protocols.relax.FastRelax: CMD: min -200.778 15.1079 3.04459 0.55 protocols.relax.FastRelax: MRP: 0 -200.778 -200.778 15.1079 3.04459 protocols.relax.FastRelax: CMD: accept_to_best -200.778 15.1079 3.04459 0.55 protocols.relax.FastRelax: CMD: endrepeat -200.778 15.1079 3.04459 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -200.778 15.1079 3.04459 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -251.404 15.1079 3.04459 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2155 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -263.987 15.1079 3.04459 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -259.645 15.1079 3.04459 0.02805 protocols.relax.FastRelax: CMD: min -298.565 14.4927 2.90378 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -298.565 14.4927 2.90378 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -215.377 14.4927 2.90378 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2397 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.807 14.4927 2.90378 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.968 14.4927 2.90378 0.154 protocols.relax.FastRelax: CMD: min -255.679 14.6836 3.0441 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -255.679 14.6836 3.0441 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -223.765 14.6836 3.0441 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2074 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.117 14.6836 3.0441 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -221.637 14.6836 3.0441 0.31955 protocols.relax.FastRelax: CMD: min -231.161 14.7424 3.03133 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -231.161 14.7424 3.03133 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -199.129 14.7424 3.03133 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2016 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.397 14.7424 3.03133 0.55 protocols.relax.FastRelax: CMD: min -217.853 14.8581 3.15514 0.55 protocols.relax.FastRelax: MRP: 1 -217.853 -217.853 14.8581 3.15514 protocols.relax.FastRelax: CMD: accept_to_best -217.853 14.8581 3.15514 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.853 14.8581 3.15514 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.853 14.8581 3.15514 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.977 14.8581 3.15514 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2139 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -279.907 14.8581 3.15514 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -277.777 14.8581 3.15514 0.02805 protocols.relax.FastRelax: CMD: min -304.774 14.3852 3.16221 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -304.774 14.3852 3.16221 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.523 14.3852 3.16221 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2370 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.187 14.3852 3.16221 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -220.39 14.3852 3.16221 0.154 protocols.relax.FastRelax: CMD: min -262.691 14.556 3.116 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.691 14.556 3.116 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -230.736 14.556 3.116 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2118 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.81 14.556 3.116 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.367 14.556 3.116 0.31955 protocols.relax.FastRelax: CMD: min -234.932 14.6642 3.10027 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -234.932 14.6642 3.10027 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -199.989 14.6642 3.10027 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2002 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.463 14.6642 3.10027 0.55 protocols.relax.FastRelax: CMD: min -220.199 14.541 3.33504 0.55 protocols.relax.FastRelax: MRP: 2 -220.199 -220.199 14.541 3.33504 protocols.relax.FastRelax: CMD: accept_to_best -220.199 14.541 3.33504 0.55 protocols.relax.FastRelax: CMD: endrepeat -220.199 14.541 3.33504 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -220.199 14.541 3.33504 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -275.086 14.541 3.33504 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2132 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -281.963 14.541 3.33504 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -279.715 14.541 3.33504 0.02805 protocols.relax.FastRelax: CMD: min -314.709 14.2082 3.05439 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -314.709 14.2082 3.05439 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.489 14.2082 3.05439 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2541 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.966 14.2082 3.05439 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -225.549 14.2082 3.05439 0.154 protocols.relax.FastRelax: CMD: min -269.891 14.4674 2.99866 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -269.891 14.4674 2.99866 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.522 14.4674 2.99866 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 1959 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.852 14.4674 2.99866 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -233.133 14.4674 2.99866 0.31955 protocols.relax.FastRelax: CMD: min -242.037 14.5549 3.1061 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.037 14.5549 3.1061 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -206.175 14.5549 3.1061 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2003 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -206.309 14.5549 3.1061 0.55 protocols.relax.FastRelax: CMD: min -223.452 14.604 3.39323 0.55 protocols.relax.FastRelax: MRP: 3 -223.452 -223.452 14.604 3.39323 protocols.relax.FastRelax: CMD: accept_to_best -223.452 14.604 3.39323 0.55 protocols.relax.FastRelax: CMD: endrepeat -223.452 14.604 3.39323 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -223.452 14.604 3.39323 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -278.987 14.604 3.39323 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2143 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -285.211 14.604 3.39323 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -283.134 14.604 3.39323 0.02805 protocols.relax.FastRelax: CMD: min -324.801 14.2103 3.09973 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -324.801 14.2103 3.09973 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -228.249 14.2103 3.09973 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2463 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.039 14.2103 3.09973 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.726 14.2103 3.09973 0.154 protocols.relax.FastRelax: CMD: min -272.38 14.4619 3.08704 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -272.38 14.4619 3.08704 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -236.406 14.4619 3.08704 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2189 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.251 14.4619 3.08704 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -233.432 14.4619 3.08704 0.31955 protocols.relax.FastRelax: CMD: min -245.527 14.6673 3.13227 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -245.527 14.6673 3.13227 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.806 14.6673 3.13227 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2008 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.873 14.6673 3.13227 0.55 protocols.relax.FastRelax: CMD: min -225.296 14.8122 3.28042 0.55 protocols.relax.FastRelax: MRP: 4 -225.296 -225.296 14.8122 3.28042 protocols.relax.FastRelax: CMD: accept_to_best -225.296 14.8122 3.28042 0.55 protocols.relax.FastRelax: CMD: endrepeat -225.296 14.8122 3.28042 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_20.pdb protocols.relax.FastRelax: CMD: repeat 78198.6 15.8263 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 78198.6 15.8263 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7608.86 15.8263 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2511 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 121.046 15.8263 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 148.37 15.8263 0 0.02805 protocols.relax.FastRelax: CMD: min -260.96 16.2908 6.15329 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -260.96 16.2908 6.15329 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -167.749 16.2908 6.15329 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2199 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -188.545 16.2908 6.15329 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -183.215 16.2908 6.15329 0.154 protocols.relax.FastRelax: CMD: min -227.674 16.7593 6.53477 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -227.674 16.7593 6.53477 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -189.746 16.7593 6.53477 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2137 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -192.389 16.7593 6.53477 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -189.53 16.7593 6.53477 0.31955 protocols.relax.FastRelax: CMD: min -201.045 16.7595 6.60634 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -201.045 16.7595 6.60634 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -164.066 16.7595 6.60634 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2071 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.767 16.7595 6.60634 0.55 protocols.relax.FastRelax: CMD: min -210.564 17.4094 9.17211 0.55 protocols.relax.FastRelax: MRP: 0 -210.564 -210.564 17.4094 9.17211 protocols.relax.FastRelax: CMD: accept_to_best -210.564 17.4094 9.17211 0.55 protocols.relax.FastRelax: CMD: endrepeat -210.564 17.4094 9.17211 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -210.564 17.4094 9.17211 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -264.101 17.4094 9.17211 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2234 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -267.213 17.4094 9.17211 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -266.199 17.4094 9.17211 0.02805 protocols.relax.FastRelax: CMD: min -297.015 16.9645 8.9015 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -297.015 16.9645 8.9015 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -213.458 16.9645 8.9015 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2231 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.393 16.9645 8.9015 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -219.678 16.9645 8.9015 0.154 protocols.relax.FastRelax: CMD: min -258.546 17.0634 9.32929 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.546 17.0634 9.32929 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -227.802 17.0634 9.32929 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2052 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -228.359 17.0634 9.32929 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -225.928 17.0634 9.32929 0.31955 protocols.relax.FastRelax: CMD: min -229.308 17.2195 9.14192 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -229.308 17.2195 9.14192 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -194.06 17.2195 9.14192 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2041 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.95 17.2195 9.14192 0.55 protocols.relax.FastRelax: CMD: min -222.634 17.2243 9.64298 0.55 protocols.relax.FastRelax: MRP: 1 -222.634 -222.634 17.2243 9.64298 protocols.relax.FastRelax: CMD: accept_to_best -222.634 17.2243 9.64298 0.55 protocols.relax.FastRelax: CMD: endrepeat -222.634 17.2243 9.64298 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -222.634 17.2243 9.64298 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -275.624 17.2243 9.64298 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2225 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -280.452 17.2243 9.64298 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -279.419 17.2243 9.64298 0.02805 protocols.relax.FastRelax: CMD: min -305.284 16.6552 9.42482 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -305.284 16.6552 9.42482 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -200.786 16.6552 9.42482 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2284 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.085 16.6552 9.42482 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -228.352 16.6552 9.42482 0.154 protocols.relax.FastRelax: CMD: min -267.403 16.855 9.91287 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -267.403 16.855 9.91287 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.635 16.855 9.91287 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2116 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.646 16.855 9.91287 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -234.149 16.855 9.91287 0.31955 protocols.relax.FastRelax: CMD: min -240.939 16.9322 9.78072 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -240.939 16.9322 9.78072 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -205.542 16.9322 9.78072 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2063 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.785 16.9322 9.78072 0.55 protocols.relax.FastRelax: CMD: min -223.047 17.1754 9.47926 0.55 protocols.relax.FastRelax: MRP: 2 -223.047 -223.047 17.1754 9.47926 protocols.relax.FastRelax: CMD: accept_to_best -223.047 17.1754 9.47926 0.55 protocols.relax.FastRelax: CMD: endrepeat -223.047 17.1754 9.47926 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -223.047 17.1754 9.47926 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -275.655 17.1754 9.47926 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2215 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -280.032 17.1754 9.47926 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -279.102 17.1754 9.47926 0.02805 protocols.relax.FastRelax: CMD: min -317.067 16.5518 10.0599 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -317.067 16.5518 10.0599 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -233.558 16.5518 10.0599 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2330 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -245.453 16.5518 10.0599 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -241.116 16.5518 10.0599 0.154 protocols.relax.FastRelax: CMD: min -272.779 16.5002 9.5538 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -272.779 16.5002 9.5538 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -239.226 16.5002 9.5538 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2221 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.896 16.5002 9.5538 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -237.309 16.5002 9.5538 0.31955 protocols.relax.FastRelax: CMD: min -245.15 16.5896 9.35376 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -245.15 16.5896 9.35376 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -211.1 16.5896 9.35376 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2197 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -211.237 16.5896 9.35376 0.55 protocols.relax.FastRelax: CMD: min -235.82 16.7822 9.74167 0.55 protocols.relax.FastRelax: MRP: 3 -235.82 -235.82 16.7822 9.74167 protocols.relax.FastRelax: CMD: accept_to_best -235.82 16.7822 9.74167 0.55 protocols.relax.FastRelax: CMD: endrepeat -235.82 16.7822 9.74167 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -235.82 16.7822 9.74167 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -292.677 16.7822 9.74167 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2881 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -297.842 16.7822 9.74167 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -296.486 16.7822 9.74167 0.02805 protocols.relax.FastRelax: CMD: min -329.963 16.4941 9.55142 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -329.963 16.4941 9.55142 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -247.119 16.4941 9.55142 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2975 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -267.257 16.4941 9.55142 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -263.191 16.4941 9.55142 0.154 protocols.relax.FastRelax: CMD: min -287.088 16.6974 9.83347 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -287.088 16.6974 9.83347 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -252.28 16.6974 9.83347 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2717 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -253.078 16.6974 9.83347 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -250.357 16.6974 9.83347 0.31955 protocols.relax.FastRelax: CMD: min -259.228 16.799 9.85192 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -259.228 16.799 9.85192 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -224.774 16.799 9.85192 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2576 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.417 16.799 9.85192 0.55 protocols.relax.FastRelax: CMD: min -239.108 16.8859 10.05 0.55 protocols.relax.FastRelax: MRP: 4 -239.108 -239.108 16.8859 10.05 protocols.relax.FastRelax: CMD: accept_to_best -239.108 16.8859 10.05 0.55 protocols.relax.FastRelax: CMD: endrepeat -239.108 16.8859 10.05 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_32.pdb protocols.relax.FastRelax: CMD: repeat 75769.4 12.8489 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 75769.4 12.8489 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7355.74 12.8489 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2888 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 249.028 12.8489 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 306.719 12.8489 0 0.02805 protocols.relax.FastRelax: CMD: min -212.267 12.4138 8.67295 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -212.267 12.4138 8.67295 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -32.5089 12.4138 8.67295 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2391 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.3124 12.4138 8.67295 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -73.6461 12.4138 8.67295 0.154 protocols.relax.FastRelax: CMD: min -179.094 12.6028 9.12279 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -179.094 12.6028 9.12279 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -127.182 12.6028 9.12279 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2163 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.88 12.6028 9.12279 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -124.888 12.6028 9.12279 0.31955 protocols.relax.FastRelax: CMD: min -136.969 12.7015 9.33784 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -136.969 12.7015 9.33784 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -82.6501 12.7015 9.33784 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2118 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.7909 12.7015 9.33784 0.55 protocols.relax.FastRelax: CMD: min -133.433 13.7954 11.7955 0.55 protocols.relax.FastRelax: MRP: 0 -133.433 -133.433 13.7954 11.7955 protocols.relax.FastRelax: CMD: accept_to_best -133.433 13.7954 11.7955 0.55 protocols.relax.FastRelax: CMD: endrepeat -133.433 13.7954 11.7955 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -133.433 13.7954 11.7955 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -207.805 13.7954 11.7955 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2158 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.982 13.7954 11.7955 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -219.453 13.7954 11.7955 0.02805 protocols.relax.FastRelax: CMD: min -265.149 12.8021 9.90063 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -265.149 12.8021 9.90063 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -144.925 12.8021 9.90063 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2702 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -168.607 12.8021 9.90063 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -162.969 12.8021 9.90063 0.154 protocols.relax.FastRelax: CMD: min -209.057 13.3685 10.6347 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -209.057 13.3685 10.6347 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -164.012 13.3685 10.6347 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2430 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.059 13.3685 10.6347 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -161.631 13.3685 10.6347 0.31955 protocols.relax.FastRelax: CMD: min -165.898 13.6134 10.7906 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -165.898 13.6134 10.7906 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -114.123 13.6134 10.7906 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2222 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.697 13.6134 10.7906 0.55 protocols.relax.FastRelax: CMD: min -144.75 14.2424 11.813 0.55 protocols.relax.FastRelax: MRP: 1 -144.75 -144.75 14.2424 11.813 protocols.relax.FastRelax: CMD: accept_to_best -144.75 14.2424 11.813 0.55 protocols.relax.FastRelax: CMD: endrepeat -144.75 14.2424 11.813 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -144.75 14.2424 11.813 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -220.769 14.2424 11.813 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2227 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.524 14.2424 11.813 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -231.731 14.2424 11.813 0.02805 protocols.relax.FastRelax: CMD: min -272.836 13.3248 10.0018 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -272.836 13.3248 10.0018 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -155.873 13.3248 10.0018 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2582 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -178.541 13.3248 10.0018 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -172.613 13.3248 10.0018 0.154 protocols.relax.FastRelax: CMD: min -218.415 13.8325 11.0696 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -218.415 13.8325 11.0696 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -172.789 13.8325 11.0696 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2311 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -173.173 13.8325 11.0696 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -169.61 13.8325 11.0696 0.31955 protocols.relax.FastRelax: CMD: min -177.534 14.0076 11.3094 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -177.534 14.0076 11.3094 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -127.809 14.0076 11.3094 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2234 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.647 14.0076 11.3094 0.55 protocols.relax.FastRelax: CMD: min -146.475 14.5349 12.0396 0.55 protocols.relax.FastRelax: MRP: 2 -146.475 -146.475 14.5349 12.0396 protocols.relax.FastRelax: CMD: accept_to_best -146.475 14.5349 12.0396 0.55 protocols.relax.FastRelax: CMD: endrepeat -146.475 14.5349 12.0396 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -146.475 14.5349 12.0396 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -223.19 14.5349 12.0396 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2313 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.863 14.5349 12.0396 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -233.931 14.5349 12.0396 0.02805 protocols.relax.FastRelax: CMD: min -241.106 13.8722 11.0127 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -241.106 13.8722 11.0127 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -116.845 13.8722 11.0127 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2396 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -172.067 13.8722 11.0127 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -167.391 13.8722 11.0127 0.154 protocols.relax.FastRelax: CMD: min -212.673 13.9517 10.8252 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -212.673 13.9517 10.8252 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -169.958 13.9517 10.8252 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2306 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -170.355 13.9517 10.8252 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -166.979 13.9517 10.8252 0.31955 protocols.relax.FastRelax: CMD: min -176.479 14.3383 11.4371 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -176.479 14.3383 11.4371 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -129.098 14.3383 11.4371 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2095 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.101 14.3383 11.4371 0.55 protocols.relax.FastRelax: CMD: min -150.801 14.3945 12.0005 0.55 protocols.relax.FastRelax: MRP: 3 -150.801 -150.801 14.3945 12.0005 protocols.relax.FastRelax: CMD: accept_to_best -150.801 14.3945 12.0005 0.55 protocols.relax.FastRelax: CMD: endrepeat -150.801 14.3945 12.0005 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -150.801 14.3945 12.0005 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -228.249 14.3945 12.0005 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2244 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.828 14.3945 12.0005 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -237.235 14.3945 12.0005 0.02805 protocols.relax.FastRelax: CMD: min -280.77 13.0062 9.55186 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -280.77 13.0062 9.55186 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -145.957 13.0062 9.55186 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2386 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -172.295 13.0062 9.55186 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -165.439 13.0062 9.55186 0.154 protocols.relax.FastRelax: CMD: min -218.462 13.4236 10.6008 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -218.462 13.4236 10.6008 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -168.397 13.4236 10.6008 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2326 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -169.153 13.4236 10.6008 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -165.27 13.4236 10.6008 0.31955 protocols.relax.FastRelax: CMD: min -182.102 13.6895 10.9095 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -182.102 13.6895 10.9095 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -132.502 13.6895 10.9095 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2173 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -132.834 13.6895 10.9095 0.55 protocols.relax.FastRelax: CMD: min -155.964 13.739 10.887 0.55 protocols.relax.FastRelax: MRP: 4 -155.964 -155.964 13.739 10.887 protocols.relax.FastRelax: CMD: accept_to_best -155.964 13.739 10.887 0.55 protocols.relax.FastRelax: CMD: endrepeat -155.964 13.739 10.887 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_27.pdb protocols.relax.FastRelax: CMD: repeat 72220.7 10.7369 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 72220.7 10.7369 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6869.57 10.7369 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.653 10.7369 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -69.6401 10.7369 0 0.02805 protocols.relax.FastRelax: CMD: min -259.904 9.90255 2.81552 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -259.904 9.90255 2.81552 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -65.9022 9.90255 2.81552 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2866 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -143.925 9.90255 2.81552 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -136.142 9.90255 2.81552 0.154 protocols.relax.FastRelax: CMD: min -224.812 11.875 3.49766 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -224.812 11.875 3.49766 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -175.473 11.875 3.49766 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2741 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -180.013 11.875 3.49766 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -176.678 11.875 3.49766 0.31955 protocols.relax.FastRelax: CMD: min -196.296 11.9552 3.13294 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -196.296 11.9552 3.13294 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -153.626 11.9552 3.13294 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2474 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -153.416 11.9552 3.13294 0.55 protocols.relax.FastRelax: CMD: min -214.577 13.1223 4.28814 0.55 protocols.relax.FastRelax: MRP: 0 -214.577 -214.577 13.1223 4.28814 protocols.relax.FastRelax: CMD: accept_to_best -214.577 13.1223 4.28814 0.55 protocols.relax.FastRelax: CMD: endrepeat -214.577 13.1223 4.28814 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -214.577 13.1223 4.28814 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -275.276 13.1223 4.28814 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2509 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -290.852 13.1223 4.28814 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -286.784 13.1223 4.28814 0.02805 protocols.relax.FastRelax: CMD: min -334.688 12.7157 4.28677 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -334.688 12.7157 4.28677 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.82 12.7157 4.28677 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2998 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.487 12.7157 4.28677 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.783 12.7157 4.28677 0.154 protocols.relax.FastRelax: CMD: min -274.397 12.5909 4.05195 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -274.397 12.5909 4.05195 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -234.541 12.5909 4.05195 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2522 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.575 12.5909 4.05195 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -232.497 12.5909 4.05195 0.31955 protocols.relax.FastRelax: CMD: min -246.811 12.5277 3.88168 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -246.811 12.5277 3.88168 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -209.051 12.5277 3.88168 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2285 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.222 12.5277 3.88168 0.55 protocols.relax.FastRelax: CMD: min -227.986 12.5105 3.92264 0.55 protocols.relax.FastRelax: MRP: 1 -227.986 -227.986 12.5105 3.92264 protocols.relax.FastRelax: CMD: accept_to_best -227.986 12.5105 3.92264 0.55 protocols.relax.FastRelax: CMD: endrepeat -227.986 12.5105 3.92264 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -227.986 12.5105 3.92264 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -290.065 12.5105 3.92264 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2355 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -300.042 12.5105 3.92264 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -297.672 12.5105 3.92264 0.02805 protocols.relax.FastRelax: CMD: min -345.296 12.7556 4.49309 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -345.296 12.7556 4.49309 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -231.413 12.7556 4.49309 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2982 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -260.576 12.7556 4.49309 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -255.307 12.7556 4.49309 0.154 protocols.relax.FastRelax: CMD: min -292.218 12.5779 4.26492 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -292.218 12.5779 4.26492 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -252.136 12.5779 4.26492 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2465 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -252.434 12.5779 4.26492 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -249.268 12.5779 4.26492 0.31955 protocols.relax.FastRelax: CMD: min -259.277 12.6389 4.21304 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -259.277 12.6389 4.21304 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -218.56 12.6389 4.21304 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2208 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.575 12.6389 4.21304 0.55 protocols.relax.FastRelax: CMD: min -236.761 12.7544 4.16981 0.55 protocols.relax.FastRelax: MRP: 2 -236.761 -236.761 12.7544 4.16981 protocols.relax.FastRelax: CMD: accept_to_best -236.761 12.7544 4.16981 0.55 protocols.relax.FastRelax: CMD: endrepeat -236.761 12.7544 4.16981 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -236.761 12.7544 4.16981 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -301.021 12.7544 4.16981 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2421 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -309.697 12.7544 4.16981 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -306.797 12.7544 4.16981 0.02805 protocols.relax.FastRelax: CMD: min -341.038 12.8817 4.55067 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -341.038 12.8817 4.55067 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -239.62 12.8817 4.55067 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2770 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -272.317 12.8817 4.55067 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -268.073 12.8817 4.55067 0.154 protocols.relax.FastRelax: CMD: min -296.206 12.7137 4.29575 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -296.206 12.7137 4.29575 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -259.024 12.7137 4.29575 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2550 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -259.098 12.7137 4.29575 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -256.156 12.7137 4.29575 0.31955 protocols.relax.FastRelax: CMD: min -262.438 12.6278 4.18089 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -262.438 12.6278 4.18089 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -219.515 12.6278 4.18089 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2343 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.743 12.6278 4.18089 0.55 protocols.relax.FastRelax: CMD: min -239.809 12.7875 4.22532 0.55 protocols.relax.FastRelax: MRP: 3 -239.809 -239.809 12.7875 4.22532 protocols.relax.FastRelax: CMD: accept_to_best -239.809 12.7875 4.22532 0.55 protocols.relax.FastRelax: CMD: endrepeat -239.809 12.7875 4.22532 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -239.809 12.7875 4.22532 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -303.532 12.7875 4.22532 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2421 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -311.325 12.7875 4.22532 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -309.025 12.7875 4.22532 0.02805 protocols.relax.FastRelax: CMD: min -336.133 12.6851 4.33718 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -336.133 12.6851 4.33718 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -244.574 12.6851 4.33718 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2703 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -278.87 12.6851 4.33718 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -275.495 12.6851 4.33718 0.154 protocols.relax.FastRelax: CMD: min -293.99 12.7214 4.34897 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -293.99 12.7214 4.34897 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -258.265 12.7214 4.34897 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2584 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.557 12.7214 4.34897 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -255.781 12.7214 4.34897 0.31955 protocols.relax.FastRelax: CMD: min -263.172 12.7555 4.35242 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -263.172 12.7555 4.35242 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -225.209 12.7555 4.35242 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2362 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.33 12.7555 4.35242 0.55 protocols.relax.FastRelax: CMD: min -237.542 12.8682 4.3362 0.55 protocols.relax.FastRelax: MRP: 4 -237.542 -239.809 12.7875 4.22532 protocols.relax.FastRelax: CMD: accept_to_best -237.542 12.8682 4.3362 0.55 protocols.relax.FastRelax: CMD: endrepeat -237.542 12.8682 4.3362 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_47.pdb protocols.relax.FastRelax: CMD: repeat 71030.8 13.0875 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71030.8 13.0875 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6635.43 13.0875 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2552 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -140.05 13.0875 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -125.468 13.0875 0 0.02805 protocols.relax.FastRelax: CMD: min -290.322 14.1564 4.05237 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -290.322 14.1564 4.05237 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -148.027 14.1564 4.05237 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2675 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -172.951 14.1564 4.05237 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -165.394 14.1564 4.05237 0.154 protocols.relax.FastRelax: CMD: min -236.167 14.1236 4.23835 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -236.167 14.1236 4.23835 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -189.571 14.1236 4.23835 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2629 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.079 14.1236 4.23835 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -190.751 14.1236 4.23835 0.31955 protocols.relax.FastRelax: CMD: min -230.551 14.2544 4.65909 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -230.551 14.2544 4.65909 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -188.837 14.2544 4.65909 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2655 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -190.018 14.2544 4.65909 0.55 protocols.relax.FastRelax: CMD: min -229.264 14.3296 4.71624 0.55 protocols.relax.FastRelax: MRP: 0 -229.264 -229.264 14.3296 4.71624 protocols.relax.FastRelax: CMD: accept_to_best -229.264 14.3296 4.71624 0.55 protocols.relax.FastRelax: CMD: endrepeat -229.264 14.3296 4.71624 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -229.264 14.3296 4.71624 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -293.805 14.3296 4.71624 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2831 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -307.419 14.3296 4.71624 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -304.404 14.3296 4.71624 0.02805 protocols.relax.FastRelax: CMD: min -360.203 14.0456 4.87783 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -360.203 14.0456 4.87783 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -203.829 14.0456 4.87783 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2827 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -228.549 14.0456 4.87783 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -220.157 14.0456 4.87783 0.154 protocols.relax.FastRelax: CMD: min -303.893 14.1721 4.99177 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -303.893 14.1721 4.99177 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -257.242 14.1721 4.99177 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2764 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.636 14.1721 4.99177 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -253.997 14.1721 4.99177 0.31955 protocols.relax.FastRelax: CMD: min -265.756 14.1989 4.89973 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -265.756 14.1989 4.89973 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -220.235 14.1989 4.89973 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.075 14.1989 4.89973 0.55 protocols.relax.FastRelax: CMD: min -241.624 14.1782 4.82918 0.55 protocols.relax.FastRelax: MRP: 1 -241.624 -241.624 14.1782 4.82918 protocols.relax.FastRelax: CMD: accept_to_best -241.624 14.1782 4.82918 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.624 14.1782 4.82918 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -241.624 14.1782 4.82918 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -308.62 14.1782 4.82918 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3065 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -319.397 14.1782 4.82918 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -314.908 14.1782 4.82918 0.02805 protocols.relax.FastRelax: CMD: min -382.206 13.9068 5.22281 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -382.206 13.9068 5.22281 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -223.007 13.9068 5.22281 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3160 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.264 13.9068 5.22281 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -226.309 13.9068 5.22281 0.154 protocols.relax.FastRelax: CMD: min -304.099 13.8766 4.87967 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -304.099 13.8766 4.87967 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -251.895 13.8766 4.87967 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2801 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -252.493 13.8766 4.87967 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -248.409 13.8766 4.87967 0.31955 protocols.relax.FastRelax: CMD: min -264.613 13.9351 4.80387 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -264.613 13.9351 4.80387 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -216.075 13.9351 4.80387 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2696 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.949 13.9351 4.80387 0.55 protocols.relax.FastRelax: CMD: min -242.16 13.9396 4.71856 0.55 protocols.relax.FastRelax: MRP: 2 -242.16 -242.16 13.9396 4.71856 protocols.relax.FastRelax: CMD: accept_to_best -242.16 13.9396 4.71856 0.55 protocols.relax.FastRelax: CMD: endrepeat -242.16 13.9396 4.71856 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -242.16 13.9396 4.71856 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -311.374 13.9396 4.71856 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3053 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -323.108 13.9396 4.71856 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -320.77 13.9396 4.71856 0.02805 protocols.relax.FastRelax: CMD: min -379.422 13.7395 5.07935 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -379.422 13.7395 5.07935 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -227.744 13.7395 5.07935 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3074 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.742 13.7395 5.07935 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -236.373 13.7395 5.07935 0.154 protocols.relax.FastRelax: CMD: min -304.164 13.7889 4.84467 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -304.164 13.7889 4.84467 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -256.357 13.7889 4.84467 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2795 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.482 13.7889 4.84467 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -253.643 13.7889 4.84467 0.31955 protocols.relax.FastRelax: CMD: min -271.192 13.8699 4.78096 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -271.192 13.8699 4.78096 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -226.326 13.8699 4.78096 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2665 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.461 13.8699 4.78096 0.55 protocols.relax.FastRelax: CMD: min -245.16 13.947 4.76346 0.55 protocols.relax.FastRelax: MRP: 3 -245.16 -245.16 13.947 4.76346 protocols.relax.FastRelax: CMD: accept_to_best -245.16 13.947 4.76346 0.55 protocols.relax.FastRelax: CMD: endrepeat -245.16 13.947 4.76346 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -245.16 13.947 4.76346 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -311.871 13.947 4.76346 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2977 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -319.064 13.947 4.76346 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -317.261 13.947 4.76346 0.02805 protocols.relax.FastRelax: CMD: min -383.638 13.8416 5.24013 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -383.638 13.8416 5.24013 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -231.206 13.8416 5.24013 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3042 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.957 13.8416 5.24013 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -231.751 13.8416 5.24013 0.154 protocols.relax.FastRelax: CMD: min -307.243 13.8297 4.95468 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -307.243 13.8297 4.95468 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -258.346 13.8297 4.95468 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2886 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.62 13.8297 4.95468 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -254.743 13.8297 4.95468 0.31955 protocols.relax.FastRelax: CMD: min -266.39 13.8703 4.83521 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -266.39 13.8703 4.83521 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -217.572 13.8703 4.83521 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2655 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.488 13.8703 4.83521 0.55 protocols.relax.FastRelax: CMD: min -246.933 13.951 4.75511 0.55 protocols.relax.FastRelax: MRP: 4 -246.933 -246.933 13.951 4.75511 protocols.relax.FastRelax: CMD: accept_to_best -246.933 13.951 4.75511 0.55 protocols.relax.FastRelax: CMD: endrepeat -246.933 13.951 4.75511 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_16.pdb protocols.relax.FastRelax: CMD: repeat 76198 15.9589 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 76198 15.9589 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7460.13 15.9589 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2681 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 176.623 15.9589 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 206.255 15.9589 0 0.02805 protocols.relax.FastRelax: CMD: min -247.012 16.0479 2.99719 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -247.012 16.0479 2.99719 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -114.392 16.0479 2.99719 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2589 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -157.304 16.0479 2.99719 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -150.898 16.0479 2.99719 0.154 protocols.relax.FastRelax: CMD: min -217.261 15.9181 3.04674 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -217.261 15.9181 3.04674 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -177.708 15.9181 3.04674 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2619 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -180.886 15.9181 3.04674 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -177.808 15.9181 3.04674 0.31955 protocols.relax.FastRelax: CMD: min -191.255 16.037 2.99935 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -191.255 16.037 2.99935 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -151.046 16.037 2.99935 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2592 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -152.244 16.037 2.99935 0.55 protocols.relax.FastRelax: CMD: min -192.066 15.7653 3.33815 0.55 protocols.relax.FastRelax: MRP: 0 -192.066 -192.066 15.7653 3.33815 protocols.relax.FastRelax: CMD: accept_to_best -192.066 15.7653 3.33815 0.55 protocols.relax.FastRelax: CMD: endrepeat -192.066 15.7653 3.33815 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -192.066 15.7653 3.33815 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -247.415 15.7653 3.33815 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2581 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.822 15.7653 3.33815 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -256.002 15.7653 3.33815 0.02805 protocols.relax.FastRelax: CMD: min -322.456 15.2055 3.45178 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -322.456 15.2055 3.45178 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -185.229 15.2055 3.45178 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.324 15.2055 3.45178 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -186.358 15.2055 3.45178 0.154 protocols.relax.FastRelax: CMD: min -263.719 15.3241 3.66515 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -263.719 15.3241 3.66515 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -223.095 15.3241 3.66515 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2604 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.409 15.3241 3.66515 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -220.219 15.3241 3.66515 0.31955 protocols.relax.FastRelax: CMD: min -230.053 15.4033 3.71949 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -230.053 15.4033 3.71949 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -187.912 15.4033 3.71949 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2526 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -188.722 15.4033 3.71949 0.55 protocols.relax.FastRelax: CMD: min -218.649 15.3472 3.83001 0.55 protocols.relax.FastRelax: MRP: 1 -218.649 -218.649 15.3472 3.83001 protocols.relax.FastRelax: CMD: accept_to_best -218.649 15.3472 3.83001 0.55 protocols.relax.FastRelax: CMD: endrepeat -218.649 15.3472 3.83001 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -218.649 15.3472 3.83001 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -279.805 15.3472 3.83001 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2881 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -286.204 15.3472 3.83001 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.592 15.3472 3.83001 0.02805 protocols.relax.FastRelax: CMD: min -345.219 15.0854 3.77873 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -345.219 15.0854 3.77873 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.651 15.0854 3.77873 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3089 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.348 15.0854 3.77873 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -207.588 15.0854 3.77873 0.154 protocols.relax.FastRelax: CMD: min -281.059 15.1653 3.81096 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -281.059 15.1653 3.81096 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.986 15.1653 3.81096 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2879 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.198 15.1653 3.81096 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -232.649 15.1653 3.81096 0.31955 protocols.relax.FastRelax: CMD: min -248.571 15.18 3.92883 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -248.571 15.18 3.92883 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.775 15.18 3.92883 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2578 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.007 15.18 3.92883 0.55 protocols.relax.FastRelax: CMD: min -225.328 15.2054 3.97488 0.55 protocols.relax.FastRelax: MRP: 2 -225.328 -225.328 15.2054 3.97488 protocols.relax.FastRelax: CMD: accept_to_best -225.328 15.2054 3.97488 0.55 protocols.relax.FastRelax: CMD: endrepeat -225.328 15.2054 3.97488 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -225.328 15.2054 3.97488 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -287.918 15.2054 3.97488 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2956 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -292.265 15.2054 3.97488 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -290.946 15.2054 3.97488 0.02805 protocols.relax.FastRelax: CMD: min -346.366 14.9735 3.88715 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -346.366 14.9735 3.88715 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -219.115 14.9735 3.88715 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2852 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.203 14.9735 3.88715 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -221.288 14.9735 3.88715 0.154 protocols.relax.FastRelax: CMD: min -287.236 15.0356 3.94421 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -287.236 15.0356 3.94421 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -244.967 15.0356 3.94421 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2673 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -245.016 15.0356 3.94421 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -241.686 15.0356 3.94421 0.31955 protocols.relax.FastRelax: CMD: min -250.73 15.1252 3.95629 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -250.73 15.1252 3.95629 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.535 15.1252 3.95629 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2506 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.715 15.1252 3.95629 0.55 protocols.relax.FastRelax: CMD: min -225.497 15.2057 3.97655 0.55 protocols.relax.FastRelax: MRP: 3 -225.497 -225.497 15.2057 3.97655 protocols.relax.FastRelax: CMD: accept_to_best -225.497 15.2057 3.97655 0.55 protocols.relax.FastRelax: CMD: endrepeat -225.497 15.2057 3.97655 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -225.497 15.2057 3.97655 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -288.082 15.2057 3.97655 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2955 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -292.389 15.2057 3.97655 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -291.154 15.2057 3.97655 0.02805 protocols.relax.FastRelax: CMD: min -348.591 14.9172 3.96018 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -348.591 14.9172 3.96018 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -217.954 14.9172 3.96018 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2839 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.108 14.9172 3.96018 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -214.741 14.9172 3.96018 0.154 protocols.relax.FastRelax: CMD: min -287.424 15.0276 3.94872 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -287.424 15.0276 3.94872 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -244.479 15.0276 3.94872 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2664 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.83 15.0276 3.94872 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -241.459 15.0276 3.94872 0.31955 protocols.relax.FastRelax: CMD: min -250.238 15.0856 4.02173 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -250.238 15.0856 4.02173 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -207.792 15.0856 4.02173 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2493 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.923 15.0856 4.02173 0.55 protocols.relax.FastRelax: CMD: min -224.653 15.1801 3.99448 0.55 protocols.relax.FastRelax: MRP: 4 -224.653 -225.497 15.2057 3.97655 protocols.relax.FastRelax: CMD: accept_to_best -224.653 15.1801 3.99448 0.55 protocols.relax.FastRelax: CMD: endrepeat -224.653 15.1801 3.99448 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_43.pdb protocols.relax.FastRelax: CMD: repeat 68920.3 16.5422 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 68920.3 16.5422 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7834.47 16.5422 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2989 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 199.487 16.5422 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 252.455 16.5422 0 0.02805 protocols.relax.FastRelax: CMD: min -257.335 16.9422 2.72006 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -257.335 16.9422 2.72006 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -92.715 16.9422 2.72006 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2655 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -113.996 16.9422 2.72006 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -104.252 16.9422 2.72006 0.154 protocols.relax.FastRelax: CMD: min -208.881 16.65 2.84375 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -208.881 16.65 2.84375 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -152.511 16.65 2.84375 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2628 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -158.049 16.65 2.84375 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -153.889 16.65 2.84375 0.31955 protocols.relax.FastRelax: CMD: min -191.5 16.5926 2.84723 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -191.5 16.5926 2.84723 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -144.092 16.5926 2.84723 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2294 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -145.071 16.5926 2.84723 0.55 protocols.relax.FastRelax: CMD: min -187.84 16.4937 3.28739 0.55 protocols.relax.FastRelax: MRP: 0 -187.84 -187.84 16.4937 3.28739 protocols.relax.FastRelax: CMD: accept_to_best -187.84 16.4937 3.28739 0.55 protocols.relax.FastRelax: CMD: endrepeat -187.84 16.4937 3.28739 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -187.84 16.4937 3.28739 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -257.379 16.4937 3.28739 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2952 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -273.725 16.4937 3.28739 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -271.444 16.4937 3.28739 0.02805 protocols.relax.FastRelax: CMD: min -337.534 16.1712 3.23156 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -337.534 16.1712 3.23156 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -169.261 16.1712 3.23156 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3164 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.403 16.1712 3.23156 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -179.821 16.1712 3.23156 0.154 protocols.relax.FastRelax: CMD: min -258.402 16.3659 3.33887 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.402 16.3659 3.33887 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -200.877 16.3659 3.33887 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2865 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -202.335 16.3659 3.33887 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -197.909 16.3659 3.33887 0.31955 protocols.relax.FastRelax: CMD: min -225.04 16.4646 3.4051 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -225.04 16.4646 3.4051 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -178.331 16.4646 3.4051 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2649 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -178.417 16.4646 3.4051 0.55 protocols.relax.FastRelax: CMD: min -202.02 16.5862 3.71487 0.55 protocols.relax.FastRelax: MRP: 1 -202.02 -202.02 16.5862 3.71487 protocols.relax.FastRelax: CMD: accept_to_best -202.02 16.5862 3.71487 0.55 protocols.relax.FastRelax: CMD: endrepeat -202.02 16.5862 3.71487 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -202.02 16.5862 3.71487 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.008 16.5862 3.71487 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2992 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -282.334 16.5862 3.71487 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -278.99 16.5862 3.71487 0.02805 protocols.relax.FastRelax: CMD: min -331.019 16.3562 3.56041 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -331.019 16.3562 3.56041 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -197.341 16.3562 3.56041 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3246 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.081 16.3562 3.56041 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -214.545 16.3562 3.56041 0.154 protocols.relax.FastRelax: CMD: min -264.727 16.3521 3.4823 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -264.727 16.3521 3.4823 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -217.872 16.3521 3.4823 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2774 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.386 16.3521 3.4823 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -214.742 16.3521 3.4823 0.31955 protocols.relax.FastRelax: CMD: min -226.266 16.4112 3.59237 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -226.266 16.4112 3.59237 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -180.689 16.4112 3.59237 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2711 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -180.79 16.4112 3.59237 0.55 protocols.relax.FastRelax: CMD: min -203.776 16.4306 3.61025 0.55 protocols.relax.FastRelax: MRP: 2 -203.776 -203.776 16.4306 3.61025 protocols.relax.FastRelax: CMD: accept_to_best -203.776 16.4306 3.61025 0.55 protocols.relax.FastRelax: CMD: endrepeat -203.776 16.4306 3.61025 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -203.776 16.4306 3.61025 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -273.824 16.4306 3.61025 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3257 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -288.533 16.4306 3.61025 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -285.628 16.4306 3.61025 0.02805 protocols.relax.FastRelax: CMD: min -348.396 16.0838 3.54025 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -348.396 16.0838 3.54025 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -182.438 16.0838 3.54025 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3094 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -202.462 16.0838 3.54025 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -193.278 16.0838 3.54025 0.154 protocols.relax.FastRelax: CMD: min -274.267 15.9673 3.65696 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -274.267 15.9673 3.65696 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -222.992 15.9673 3.65696 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2873 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.386 15.9673 3.65696 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -219.403 15.9673 3.65696 0.31955 protocols.relax.FastRelax: CMD: min -232.397 16.0691 3.60806 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -232.397 16.0691 3.60806 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -182.084 16.0691 3.60806 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2683 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -182.24 16.0691 3.60806 0.55 protocols.relax.FastRelax: CMD: min -207.683 15.9812 3.78647 0.55 protocols.relax.FastRelax: MRP: 3 -207.683 -207.683 15.9812 3.78647 protocols.relax.FastRelax: CMD: accept_to_best -207.683 15.9812 3.78647 0.55 protocols.relax.FastRelax: CMD: endrepeat -207.683 15.9812 3.78647 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -207.683 15.9812 3.78647 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -280.607 15.9812 3.78647 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3296 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -293.9 15.9812 3.78647 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -287.823 15.9812 3.78647 0.02805 protocols.relax.FastRelax: CMD: min -366.443 15.6481 3.94593 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -366.443 15.6481 3.94593 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -200.889 15.6481 3.94593 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3244 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.696 15.6481 3.94593 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -215.355 15.6481 3.94593 0.154 protocols.relax.FastRelax: CMD: min -279.209 15.7869 3.9614 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -279.209 15.7869 3.9614 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -223.774 15.7869 3.9614 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2853 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.707 15.7869 3.9614 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -220.488 15.7869 3.9614 0.31955 protocols.relax.FastRelax: CMD: min -242.657 15.9092 3.94498 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.657 15.9092 3.94498 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -197.608 15.9092 3.94498 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2674 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.701 15.9092 3.94498 0.55 protocols.relax.FastRelax: CMD: min -218.911 16.0162 4.05302 0.55 protocols.relax.FastRelax: MRP: 4 -218.911 -218.911 16.0162 4.05302 protocols.relax.FastRelax: CMD: accept_to_best -218.911 16.0162 4.05302 0.55 protocols.relax.FastRelax: CMD: endrepeat -218.911 16.0162 4.05302 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_14.pdb protocols.relax.FastRelax: CMD: repeat 70395.8 14.3586 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70395.8 14.3586 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7500.39 14.3586 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2417 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 88.9057 14.3586 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 111.367 14.3586 0 0.02805 protocols.relax.FastRelax: CMD: min -257.456 14.7897 8.30911 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -257.456 14.7897 8.30911 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -68.9558 14.7897 8.30911 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2595 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -138.319 14.7897 8.30911 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -129.864 14.7897 8.30911 0.154 protocols.relax.FastRelax: CMD: min -219.026 15.027 6.84819 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -219.026 15.027 6.84819 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -170.488 15.027 6.84819 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2306 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -173.809 15.027 6.84819 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -169.981 15.027 6.84819 0.31955 protocols.relax.FastRelax: CMD: min -173.38 15.0825 6.84429 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -173.38 15.0825 6.84429 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -106.826 15.0825 6.84429 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2250 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.465 15.0825 6.84429 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.90735e-06 Deriv= -0.948384 Finite Diff= 0.646032 protocols.relax.FastRelax: CMD: min 2402.91 13.9014 7.61276 0.55 protocols.relax.FastRelax: MRP: 0 2402.91 2402.91 13.9014 7.61276 protocols.relax.FastRelax: CMD: accept_to_best 2402.91 13.9014 7.61276 0.55 protocols.relax.FastRelax: CMD: endrepeat 2402.91 13.9014 7.61276 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 2402.91 13.9014 7.61276 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -163.044 13.9014 7.61276 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2372 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -278.28 13.9014 7.61276 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -272.583 13.9014 7.61276 0.02805 protocols.relax.FastRelax: CMD: min -341.686 13.3662 8.33707 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -341.686 13.3662 8.33707 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -189.184 13.3662 8.33707 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2513 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.819 13.3662 8.33707 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -206.85 13.3662 8.33707 0.154 protocols.relax.FastRelax: CMD: min -266.688 13.7598 7.75216 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.688 13.7598 7.75216 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -222.441 13.7598 7.75216 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2350 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.485 13.7598 7.75216 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -219.981 13.7598 7.75216 0.31955 protocols.relax.FastRelax: CMD: min -229.905 13.8297 7.74897 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -229.905 13.8297 7.74897 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -182.159 13.8297 7.74897 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2313 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -182.347 13.8297 7.74897 0.55 protocols.relax.FastRelax: CMD: min -214.35 13.923 7.39206 0.55 protocols.relax.FastRelax: MRP: 1 -214.35 -214.35 13.923 7.39206 protocols.relax.FastRelax: CMD: accept_to_best -214.35 13.923 7.39206 0.55 protocols.relax.FastRelax: CMD: endrepeat -214.35 13.923 7.39206 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -214.35 13.923 7.39206 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -284.162 13.923 7.39206 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2626 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -296.458 13.923 7.39206 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -293.522 13.923 7.39206 0.02805 protocols.relax.FastRelax: CMD: min -350.045 13.3155 8.22906 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -350.045 13.3155 8.22906 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -210.447 13.3155 8.22906 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2655 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.202 13.3155 8.22906 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -217.604 13.3155 8.22906 0.154 protocols.relax.FastRelax: CMD: min -280.406 13.4644 8.13003 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -280.406 13.4644 8.13003 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -234.457 13.4644 8.13003 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2423 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.575 13.4644 8.13003 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -231.998 13.4644 8.13003 0.31955 protocols.relax.FastRelax: CMD: min -237.981 13.5259 8.07747 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -237.981 13.5259 8.07747 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -188.441 13.5259 8.07747 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2404 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.546 13.5259 8.07747 0.55 protocols.relax.FastRelax: CMD: min -224.348 13.6551 7.8035 0.55 protocols.relax.FastRelax: MRP: 2 -224.348 -224.348 13.6551 7.8035 protocols.relax.FastRelax: CMD: accept_to_best -224.348 13.6551 7.8035 0.55 protocols.relax.FastRelax: CMD: endrepeat -224.348 13.6551 7.8035 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -224.348 13.6551 7.8035 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -293.799 13.6551 7.8035 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2542 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -300.114 13.6551 7.8035 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -298.281 13.6551 7.8035 0.02805 protocols.relax.FastRelax: CMD: min -342.607 13.3031 7.88556 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -342.607 13.3031 7.88556 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.935 13.3031 7.88556 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2616 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -237.699 13.3031 7.88556 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -231.073 13.3031 7.88556 0.154 protocols.relax.FastRelax: CMD: min -289.216 13.3459 8.16333 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -289.216 13.3459 8.16333 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -247.64 13.3459 8.16333 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2533 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -247.62 13.3459 8.16333 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -244.366 13.3459 8.16333 0.31955 protocols.relax.FastRelax: CMD: min -252.051 13.393 8.20345 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -252.051 13.393 8.20345 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -207.046 13.393 8.20345 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2416 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.114 13.393 8.20345 0.55 protocols.relax.FastRelax: CMD: min -226.953 13.5712 7.90099 0.55 protocols.relax.FastRelax: MRP: 3 -226.953 -226.953 13.5712 7.90099 protocols.relax.FastRelax: CMD: accept_to_best -226.953 13.5712 7.90099 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.953 13.5712 7.90099 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.953 13.5712 7.90099 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -295.31 13.5712 7.90099 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2410 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -302.95 13.5712 7.90099 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -300.352 13.5712 7.90099 0.02805 protocols.relax.FastRelax: CMD: min -341.788 13.2225 7.90445 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -341.788 13.2225 7.90445 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -228.085 13.2225 7.90445 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2742 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.643 13.2225 7.90445 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -236.033 13.2225 7.90445 0.154 protocols.relax.FastRelax: CMD: min -292.737 13.3278 8.01417 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -292.737 13.3278 8.01417 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -250.888 13.3278 8.01417 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2465 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -251.819 13.3278 8.01417 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -248.575 13.3278 8.01417 0.31955 protocols.relax.FastRelax: CMD: min -257.525 13.3697 8.10887 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -257.525 13.3697 8.10887 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -213.079 13.3697 8.10887 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2345 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.692 13.3697 8.10887 0.55 protocols.relax.FastRelax: CMD: min -224.815 13.584 7.80689 0.55 protocols.relax.FastRelax: MRP: 4 -224.815 -226.953 13.5712 7.90099 protocols.relax.FastRelax: CMD: accept_to_best -224.815 13.584 7.80689 0.55 protocols.relax.FastRelax: CMD: endrepeat -224.815 13.584 7.80689 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_45.pdb protocols.relax.FastRelax: CMD: repeat 70468.5 14.0704 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70468.5 14.0704 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7774.45 14.0704 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2850 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 113.232 14.0704 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 134.274 14.0704 0 0.02805 protocols.relax.FastRelax: CMD: min -282.075 15.4638 7.24781 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -282.075 15.4638 7.24781 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -166.234 15.4638 7.24781 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2536 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -182.686 15.4638 7.24781 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -176.335 15.4638 7.24781 0.154 protocols.relax.FastRelax: CMD: min -224.525 15.5806 7.56439 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -224.525 15.5806 7.56439 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -174.94 15.5806 7.56439 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2369 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -177.665 15.5806 7.56439 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -173.922 15.5806 7.56439 0.31955 protocols.relax.FastRelax: CMD: min -182.439 15.5984 7.57283 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -182.439 15.5984 7.57283 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -122.789 15.5984 7.57283 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2329 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -123.936 15.5984 7.57283 0.55 protocols.relax.FastRelax: CMD: min -207.493 13.4303 6.73289 0.55 protocols.relax.FastRelax: MRP: 0 -207.493 -207.493 13.4303 6.73289 protocols.relax.FastRelax: CMD: accept_to_best -207.493 13.4303 6.73289 0.55 protocols.relax.FastRelax: CMD: endrepeat -207.493 13.4303 6.73289 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -207.493 13.4303 6.73289 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -268.258 13.4303 6.73289 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2507 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -284.466 13.4303 6.73289 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -282.108 13.4303 6.73289 0.02805 protocols.relax.FastRelax: CMD: min -293.089 12.883 8.01868 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -293.089 12.883 8.01868 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -141.999 12.883 8.01868 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2554 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.076 12.883 8.01868 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -238.847 12.883 8.01868 0.154 protocols.relax.FastRelax: CMD: min -268.134 12.8278 7.9968 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -268.134 12.8278 7.9968 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -232.545 12.8278 7.9968 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2530 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.572 12.8278 7.9968 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.797 12.8278 7.9968 0.31955 protocols.relax.FastRelax: CMD: min -237.424 12.8656 8.03287 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -237.424 12.8656 8.03287 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.672 12.8656 8.03287 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2361 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.411 12.8656 8.03287 0.55 protocols.relax.FastRelax: CMD: min -219.35 12.7872 8.15703 0.55 protocols.relax.FastRelax: MRP: 1 -219.35 -219.35 12.7872 8.15703 protocols.relax.FastRelax: CMD: accept_to_best -219.35 12.7872 8.15703 0.55 protocols.relax.FastRelax: CMD: endrepeat -219.35 12.7872 8.15703 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -219.35 12.7872 8.15703 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.228 12.7872 8.15703 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2479 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -292.487 12.7872 8.15703 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -290.719 12.7872 8.15703 0.02805 protocols.relax.FastRelax: CMD: min -318.498 12.9036 8.1436 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -318.498 12.9036 8.1436 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -228.309 12.9036 8.1436 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2461 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -253.267 12.9036 8.1436 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -249.143 12.9036 8.1436 0.154 protocols.relax.FastRelax: CMD: min -276.266 12.7047 8.28457 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -276.266 12.7047 8.28457 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -241.395 12.7047 8.28457 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2436 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.019 12.7047 8.28457 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -239.37 12.7047 8.28457 0.31955 protocols.relax.FastRelax: CMD: min -242.626 12.6705 8.22628 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.626 12.6705 8.22628 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -198.906 12.6705 8.22628 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2285 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.467 12.6705 8.22628 0.55 protocols.relax.FastRelax: CMD: min -222.672 12.6444 8.28983 0.55 protocols.relax.FastRelax: MRP: 2 -222.672 -222.672 12.6444 8.28983 protocols.relax.FastRelax: CMD: accept_to_best -222.672 12.6444 8.28983 0.55 protocols.relax.FastRelax: CMD: endrepeat -222.672 12.6444 8.28983 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -222.672 12.6444 8.28983 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -284.387 12.6444 8.28983 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2429 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.461 12.6444 8.28983 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -292.959 12.6444 8.28983 0.02805 protocols.relax.FastRelax: CMD: min -326.715 12.4747 8.48875 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -326.715 12.4747 8.48875 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -232.986 12.4747 8.48875 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2460 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -255.276 12.4747 8.48875 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -250.619 12.4747 8.48875 0.154 protocols.relax.FastRelax: CMD: min -281.862 12.3599 8.61447 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -281.862 12.3599 8.61447 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -243.365 12.3599 8.61447 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2496 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.788 12.3599 8.61447 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -241.838 12.3599 8.61447 0.31955 protocols.relax.FastRelax: CMD: min -250.576 12.4359 8.61371 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -250.576 12.4359 8.61371 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -208.555 12.4359 8.61371 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2463 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.255 12.4359 8.61371 0.55 protocols.relax.FastRelax: CMD: min -226.718 12.4017 8.49562 0.55 protocols.relax.FastRelax: MRP: 3 -226.718 -226.718 12.4017 8.49562 protocols.relax.FastRelax: CMD: accept_to_best -226.718 12.4017 8.49562 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.718 12.4017 8.49562 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -226.718 12.4017 8.49562 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -289.128 12.4017 8.49562 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2566 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -296.618 12.4017 8.49562 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -294.844 12.4017 8.49562 0.02805 protocols.relax.FastRelax: CMD: min -328.759 12.4456 8.62768 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -328.759 12.4456 8.62768 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -232.733 12.4456 8.62768 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2525 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -253.942 12.4456 8.62768 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -249.317 12.4456 8.62768 0.154 protocols.relax.FastRelax: CMD: min -283.231 12.4317 8.54736 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -283.231 12.4317 8.54736 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -246.225 12.4317 8.54736 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2438 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -246.161 12.4317 8.54736 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -243.384 12.4317 8.54736 0.31955 protocols.relax.FastRelax: CMD: min -250.189 12.4189 8.47684 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -250.189 12.4189 8.47684 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -210.793 12.4189 8.47684 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2415 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.99 12.4189 8.47684 0.55 protocols.relax.FastRelax: CMD: min -226.035 12.3399 8.43462 0.55 protocols.relax.FastRelax: MRP: 4 -226.035 -226.718 12.4017 8.49562 protocols.relax.FastRelax: CMD: accept_to_best -226.035 12.3399 8.43462 0.55 protocols.relax.FastRelax: CMD: endrepeat -226.035 12.3399 8.43462 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_7.pdb protocols.relax.FastRelax: CMD: repeat 77176.8 14.3358 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 77176.8 14.3358 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6823.81 14.3358 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2608 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -68.8087 14.3358 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -34.5674 14.3358 0 0.02805 protocols.relax.FastRelax: CMD: min -297.034 14.3965 2.70069 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -297.034 14.3965 2.70069 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -145.765 14.3965 2.70069 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2597 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -172.365 14.3965 2.70069 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -164.901 14.3965 2.70069 0.154 protocols.relax.FastRelax: CMD: min -262.294 14.5618 2.87171 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.294 14.5618 2.87171 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -217.501 14.5618 2.87171 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2627 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.613 14.5618 2.87171 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -205.087 14.5618 2.87171 0.31955 protocols.relax.FastRelax: CMD: min -217.462 14.6129 2.81976 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -217.462 14.6129 2.81976 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -173.066 14.6129 2.81976 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2468 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -173.893 14.6129 2.81976 0.55 protocols.relax.FastRelax: CMD: min -221.281 14.5364 2.93999 0.55 protocols.relax.FastRelax: MRP: 0 -221.281 -221.281 14.5364 2.93999 protocols.relax.FastRelax: CMD: accept_to_best -221.281 14.5364 2.93999 0.55 protocols.relax.FastRelax: CMD: endrepeat -221.281 14.5364 2.93999 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -221.281 14.5364 2.93999 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.008 14.5364 2.93999 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2865 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.454 14.5364 2.93999 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -293.207 14.5364 2.93999 0.02805 protocols.relax.FastRelax: CMD: min -350.993 14.2394 2.85428 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -350.993 14.2394 2.85428 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -218.642 14.2394 2.85428 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2847 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.58 14.2394 2.85428 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.985 14.2394 2.85428 0.154 protocols.relax.FastRelax: CMD: min -287.527 14.3739 2.76124 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -287.527 14.3739 2.76124 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -239.201 14.3739 2.76124 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2603 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.897 14.3739 2.76124 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -235.213 14.3739 2.76124 0.31955 protocols.relax.FastRelax: CMD: min -248.081 14.4288 2.7378 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -248.081 14.4288 2.7378 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -201.098 14.4288 2.7378 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2512 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.462 14.4288 2.7378 0.55 protocols.relax.FastRelax: CMD: min -237.207 14.5865 3.39509 0.55 protocols.relax.FastRelax: MRP: 1 -237.207 -237.207 14.5865 3.39509 protocols.relax.FastRelax: CMD: accept_to_best -237.207 14.5865 3.39509 0.55 protocols.relax.FastRelax: CMD: endrepeat -237.207 14.5865 3.39509 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -237.207 14.5865 3.39509 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -300.56 14.5865 3.39509 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2808 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -309.552 14.5865 3.39509 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -307.272 14.5865 3.39509 0.02805 protocols.relax.FastRelax: CMD: min -367.846 14.5048 3.4748 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -367.846 14.5048 3.4748 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -227.417 14.5048 3.4748 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2887 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.155 14.5048 3.4748 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.997 14.5048 3.4748 0.154 protocols.relax.FastRelax: CMD: min -300.676 14.571 3.35927 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -300.676 14.571 3.35927 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -252.57 14.571 3.35927 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2616 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -252.648 14.571 3.35927 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -248.914 14.571 3.35927 0.31955 protocols.relax.FastRelax: CMD: min -259.065 14.6158 3.33214 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -259.065 14.6158 3.33214 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -209.96 14.6158 3.33214 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2552 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.191 14.6158 3.33214 0.55 protocols.relax.FastRelax: CMD: min -239.2 14.635 3.40066 0.55 protocols.relax.FastRelax: MRP: 2 -239.2 -239.2 14.635 3.40066 protocols.relax.FastRelax: CMD: accept_to_best -239.2 14.635 3.40066 0.55 protocols.relax.FastRelax: CMD: endrepeat -239.2 14.635 3.40066 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -239.2 14.635 3.40066 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -304.24 14.635 3.40066 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2808 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -310.493 14.635 3.40066 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -308.94 14.635 3.40066 0.02805 protocols.relax.FastRelax: CMD: min -372.365 14.4999 3.53422 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -372.365 14.4999 3.53422 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -218.494 14.4999 3.53422 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2888 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -237.234 14.4999 3.53422 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -228.371 14.4999 3.53422 0.154 protocols.relax.FastRelax: CMD: min -303.168 14.6005 3.36623 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -303.168 14.6005 3.36623 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -254.069 14.6005 3.36623 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2641 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -255.06 14.6005 3.36623 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -251.234 14.6005 3.36623 0.31955 protocols.relax.FastRelax: CMD: min -264.616 14.6029 3.19805 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -264.616 14.6029 3.19805 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -219.848 14.6029 3.19805 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2482 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -220.421 14.6029 3.19805 0.55 protocols.relax.FastRelax: CMD: min -243.062 14.6425 3.22391 0.55 protocols.relax.FastRelax: MRP: 3 -243.062 -243.062 14.6425 3.22391 protocols.relax.FastRelax: CMD: accept_to_best -243.062 14.6425 3.22391 0.55 protocols.relax.FastRelax: CMD: endrepeat -243.062 14.6425 3.22391 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -243.062 14.6425 3.22391 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -307.413 14.6425 3.22391 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -313.112 14.6425 3.22391 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -311.492 14.6425 3.22391 0.02805 protocols.relax.FastRelax: CMD: min -372.686 14.4753 3.49113 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -372.686 14.4753 3.49113 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -219.124 14.4753 3.49113 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3021 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.943 14.4753 3.49113 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -232.71 14.4753 3.49113 0.154 protocols.relax.FastRelax: CMD: min -305.309 14.5854 3.33782 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -305.309 14.5854 3.33782 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -257.776 14.5854 3.33782 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2764 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.237 14.5854 3.33782 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -254.557 14.5854 3.33782 0.31955 protocols.relax.FastRelax: CMD: min -267.986 14.6278 3.24063 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -267.986 14.6278 3.24063 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -223.568 14.6278 3.24063 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2610 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.195 14.6278 3.24063 0.55 protocols.relax.FastRelax: CMD: min -246.766 14.681 3.33655 0.55 protocols.relax.FastRelax: MRP: 4 -246.766 -246.766 14.681 3.33655 protocols.relax.FastRelax: CMD: accept_to_best -246.766 14.681 3.33655 0.55 protocols.relax.FastRelax: CMD: endrepeat -246.766 14.681 3.33655 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_39.pdb protocols.relax.FastRelax: CMD: repeat 70825.9 19.2021 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70825.9 19.2021 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7224.83 19.2021 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2876 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 171.086 19.2021 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 205.051 19.2021 0 0.02805 protocols.relax.FastRelax: CMD: min -222.06 17.9986 3.94335 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -222.06 17.9986 3.94335 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -99.6543 17.9986 3.94335 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2479 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -126.531 17.9986 3.94335 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -120.819 17.9986 3.94335 0.154 protocols.relax.FastRelax: CMD: min -178.583 17.8409 5.20813 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -178.583 17.8409 5.20813 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -132.099 17.8409 5.20813 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2448 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -135.268 17.8409 5.20813 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -131.746 17.8409 5.20813 0.31955 protocols.relax.FastRelax: CMD: min -140.008 17.9727 5.04388 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -140.008 17.9727 5.04388 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -86.2844 17.9727 5.04388 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2312 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -86.7335 17.9727 5.04388 0.55 protocols.relax.FastRelax: CMD: min -151.051 18.727 6.62166 0.55 protocols.relax.FastRelax: MRP: 0 -151.051 -151.051 18.727 6.62166 protocols.relax.FastRelax: CMD: accept_to_best -151.051 18.727 6.62166 0.55 protocols.relax.FastRelax: CMD: endrepeat -151.051 18.727 6.62166 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -151.051 18.727 6.62166 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -214.172 18.727 6.62166 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2490 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.857 18.727 6.62166 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -231.325 18.727 6.62166 0.02805 protocols.relax.FastRelax: CMD: min -233.593 18.7307 6.67331 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -233.593 18.7307 6.67331 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -162.608 18.7307 6.67331 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2371 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.032 18.7307 6.67331 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -199.611 18.7307 6.67331 0.154 protocols.relax.FastRelax: CMD: min -200.029 18.719 6.67475 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -200.029 18.719 6.67475 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -174.018 18.719 6.67475 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2326 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -175.297 18.719 6.67475 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -173.374 18.719 6.67475 0.31955 protocols.relax.FastRelax: CMD: min -174.152 18.7067 6.69197 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -174.152 18.7067 6.69197 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -138.502 18.7067 6.69197 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2249 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -138.377 18.7067 6.69197 0.55 protocols.relax.FastRelax: CMD: min -159.585 18.5965 6.59838 0.55 protocols.relax.FastRelax: MRP: 1 -159.585 -159.585 18.5965 6.59838 protocols.relax.FastRelax: CMD: accept_to_best -159.585 18.5965 6.59838 0.55 protocols.relax.FastRelax: CMD: endrepeat -159.585 18.5965 6.59838 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -159.585 18.5965 6.59838 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -221.301 18.5965 6.59838 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2487 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.438 18.5965 6.59838 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -236.085 18.5965 6.59838 0.02805 protocols.relax.FastRelax: CMD: min -240.323 18.5119 6.6723 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -240.323 18.5119 6.6723 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -172.347 18.5119 6.6723 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2456 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.138 18.5119 6.6723 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -197.185 18.5119 6.6723 0.154 protocols.relax.FastRelax: CMD: min -208.125 18.5264 6.52615 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -208.125 18.5264 6.52615 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -178.617 18.5264 6.52615 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2276 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -178.985 18.5264 6.52615 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -176.713 18.5264 6.52615 0.31955 protocols.relax.FastRelax: CMD: min -186.638 18.5511 6.70785 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -186.638 18.5511 6.70785 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -153.59 18.5511 6.70785 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2174 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -153.698 18.5511 6.70785 0.55 protocols.relax.FastRelax: CMD: min -164.471 18.251 7.31027 0.55 protocols.relax.FastRelax: MRP: 2 -164.471 -164.471 18.251 7.31027 protocols.relax.FastRelax: CMD: accept_to_best -164.471 18.251 7.31027 0.55 protocols.relax.FastRelax: CMD: endrepeat -164.471 18.251 7.31027 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -164.471 18.251 7.31027 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -226.115 18.251 7.31027 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2556 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.209 18.251 7.31027 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -237.713 18.251 7.31027 0.02805 protocols.relax.FastRelax: CMD: min -239.174 18.1642 7.61392 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -239.174 18.1642 7.61392 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -167.727 18.1642 7.61392 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2609 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.977 18.1642 7.61392 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -202.216 18.1642 7.61392 0.154 protocols.relax.FastRelax: CMD: min -213.29 18.1172 7.5331 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -213.29 18.1172 7.5331 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -186.183 18.1172 7.5331 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2366 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -187.254 18.1172 7.5331 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -185.188 18.1172 7.5331 0.31955 protocols.relax.FastRelax: CMD: min -191.429 18.1461 7.53427 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -191.429 18.1461 7.53427 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -157.948 18.1461 7.53427 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2265 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -157.95 18.1461 7.53427 0.55 protocols.relax.FastRelax: CMD: min -167.375 18.1874 7.45273 0.55 protocols.relax.FastRelax: MRP: 3 -167.375 -167.375 18.1874 7.45273 protocols.relax.FastRelax: CMD: accept_to_best -167.375 18.1874 7.45273 0.55 protocols.relax.FastRelax: CMD: endrepeat -167.375 18.1874 7.45273 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -167.375 18.1874 7.45273 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -229.615 18.1874 7.45273 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2552 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -242.247 18.1874 7.45273 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -239.336 18.1874 7.45273 0.02805 protocols.relax.FastRelax: CMD: min -281.141 18.0195 7.81074 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -281.141 18.0195 7.81074 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -171.594 18.0195 7.81074 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2831 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.243 18.0195 7.81074 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -183.379 18.0195 7.81074 0.154 protocols.relax.FastRelax: CMD: min -229.254 18.1074 7.85882 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -229.254 18.1074 7.85882 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -186.22 18.1074 7.85882 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2496 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -187.223 18.1074 7.85882 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -183.714 18.1074 7.85882 0.31955 protocols.relax.FastRelax: CMD: min -198.331 18.1932 7.63771 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -198.331 18.1932 7.63771 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -152.668 18.1932 7.63771 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2563 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -152.822 18.1932 7.63771 0.55 protocols.relax.FastRelax: CMD: min -186.674 18.5328 7.63598 0.55 protocols.relax.FastRelax: MRP: 4 -186.674 -186.674 18.5328 7.63598 protocols.relax.FastRelax: CMD: accept_to_best -186.674 18.5328 7.63598 0.55 protocols.relax.FastRelax: CMD: endrepeat -186.674 18.5328 7.63598 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_30.pdb protocols.relax.FastRelax: CMD: repeat 75432.2 12.0914 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 75432.2 12.0914 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7093.7 12.0914 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2791 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.645 12.0914 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -73.2044 12.0914 0 0.02805 protocols.relax.FastRelax: CMD: min -221.975 10.7231 2.79732 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -221.975 10.7231 2.79732 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -44.8428 10.7231 2.79732 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2646 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -91.1763 10.7231 2.79732 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -82.5065 10.7231 2.79732 0.154 protocols.relax.FastRelax: CMD: min -207.686 10.7517 3.26739 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -207.686 10.7517 3.26739 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -163.832 10.7517 3.26739 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2507 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -164.849 10.7517 3.26739 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -161.496 10.7517 3.26739 0.31955 protocols.relax.FastRelax: CMD: min -179.781 10.8785 2.94872 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -179.781 10.8785 2.94872 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -138.905 10.8785 2.94872 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2350 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -139.294 10.8785 2.94872 0.55 protocols.relax.FastRelax: CMD: min -181.298 11.0157 3.066 0.55 protocols.relax.FastRelax: MRP: 0 -181.298 -181.298 11.0157 3.066 protocols.relax.FastRelax: CMD: accept_to_best -181.298 11.0157 3.066 0.55 protocols.relax.FastRelax: CMD: endrepeat -181.298 11.0157 3.066 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -181.298 11.0157 3.066 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -246.16 11.0157 3.066 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2596 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -261.012 11.0157 3.066 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -257.291 11.0157 3.066 0.02805 protocols.relax.FastRelax: CMD: min -296.398 10.8776 3.44007 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -296.398 10.8776 3.44007 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -189.396 10.8776 3.44007 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2735 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -208.574 10.8776 3.44007 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -203.597 10.8776 3.44007 0.154 protocols.relax.FastRelax: CMD: min -245.77 10.967 3.45981 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -245.77 10.967 3.45981 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -205.286 10.967 3.45981 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2600 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -206.135 10.967 3.45981 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -202.996 10.967 3.45981 0.31955 protocols.relax.FastRelax: CMD: min -212.882 11.0003 3.47014 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -212.882 11.0003 3.47014 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -168.983 11.0003 3.47014 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2474 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -169.886 11.0003 3.47014 0.55 protocols.relax.FastRelax: CMD: min -204.534 11.1091 3.47158 0.55 protocols.relax.FastRelax: MRP: 1 -204.534 -204.534 11.1091 3.47158 protocols.relax.FastRelax: CMD: accept_to_best -204.534 11.1091 3.47158 0.55 protocols.relax.FastRelax: CMD: endrepeat -204.534 11.1091 3.47158 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -204.534 11.1091 3.47158 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -266.072 11.1091 3.47158 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2766 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.916 11.1091 3.47158 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.49 11.1091 3.47158 0.02805 protocols.relax.FastRelax: CMD: min -317.923 11.1148 3.5446 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -317.923 11.1148 3.5446 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -230.919 11.1148 3.5446 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2902 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.709 11.1148 3.5446 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -239.481 11.1148 3.5446 0.154 protocols.relax.FastRelax: CMD: min -267.711 11.0726 3.48858 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -267.711 11.0726 3.48858 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -225.817 11.0726 3.48858 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2864 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.964 11.0726 3.48858 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -224.719 11.0726 3.48858 0.31955 protocols.relax.FastRelax: CMD: min -236.182 11.2479 3.39033 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -236.182 11.2479 3.39033 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -193.41 11.2479 3.39033 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2628 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.93 11.2479 3.39033 0.55 protocols.relax.FastRelax: CMD: min -217.998 11.2109 3.41274 0.55 protocols.relax.FastRelax: MRP: 2 -217.998 -217.998 11.2109 3.41274 protocols.relax.FastRelax: CMD: accept_to_best -217.998 11.2109 3.41274 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.998 11.2109 3.41274 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.998 11.2109 3.41274 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.174 11.2109 3.41274 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2814 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -289.123 11.2109 3.41274 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -287.16 11.2109 3.41274 0.02805 protocols.relax.FastRelax: CMD: min -317.576 11.1199 3.60634 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -317.576 11.1199 3.60634 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -224.363 11.1199 3.60634 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3063 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -253.417 11.1199 3.60634 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -249.775 11.1199 3.60634 0.154 protocols.relax.FastRelax: CMD: min -268.461 11.0759 3.61227 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -268.461 11.0759 3.61227 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -231.264 11.0759 3.61227 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2817 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.98 11.0759 3.61227 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -219.612 11.0759 3.61227 0.31955 protocols.relax.FastRelax: CMD: min -242.666 11.288 3.35004 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.666 11.288 3.35004 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -203.24 11.288 3.35004 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2717 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.541 11.288 3.35004 0.55 protocols.relax.FastRelax: CMD: min -217.955 11.3122 3.27024 0.55 protocols.relax.FastRelax: MRP: 3 -217.955 -217.998 11.2109 3.41274 protocols.relax.FastRelax: CMD: accept_to_best -217.955 11.3122 3.27024 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.955 11.3122 3.27024 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.955 11.3122 3.27024 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.735 11.3122 3.27024 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2970 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -291.365 11.3122 3.27024 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -288.902 11.3122 3.27024 0.02805 protocols.relax.FastRelax: CMD: min -332.493 11.0008 3.56353 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -332.493 11.0008 3.56353 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -222.202 11.0008 3.56353 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2879 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -237.049 11.0008 3.56353 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -231.531 11.0008 3.56353 0.154 protocols.relax.FastRelax: CMD: min -270.068 11.1509 3.47851 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.068 11.1509 3.47851 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -225.986 11.1509 3.47851 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2712 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.022 11.1509 3.47851 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.614 11.1509 3.47851 0.31955 protocols.relax.FastRelax: CMD: min -244.146 11.2672 3.44479 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.146 11.2672 3.44479 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -203.299 11.2672 3.44479 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2674 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.402 11.2672 3.44479 0.55 protocols.relax.FastRelax: CMD: min -227.127 11.0958 4.37735 0.55 protocols.relax.FastRelax: MRP: 4 -227.127 -227.127 11.0958 4.37735 protocols.relax.FastRelax: CMD: accept_to_best -227.127 11.0958 4.37735 0.55 protocols.relax.FastRelax: CMD: endrepeat -227.127 11.0958 4.37735 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_23.pdb protocols.relax.FastRelax: CMD: repeat 68534.1 11.68 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 68534.1 11.68 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7379.62 11.68 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2336 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 77.2245 11.68 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 89.4761 11.68 0 0.02805 protocols.relax.FastRelax: CMD: min 1215.91 13.7071 8.77535 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 1215.91 13.7071 8.77535 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 7665.52 13.7071 8.77535 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2784 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 4622.86 13.7071 8.77535 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 4897.77 13.7071 8.77535 0.154 protocols.relax.FastRelax: CMD: min -166.8 12.307 6.88988 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -166.8 12.307 6.88988 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -125.009 12.307 6.88988 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2285 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -137.617 12.307 6.88988 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -134.391 12.307 6.88988 0.31955 protocols.relax.FastRelax: CMD: min -163.874 12.1909 6.66545 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -163.874 12.1909 6.66545 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -127.567 12.1909 6.66545 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2225 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.689 12.1909 6.66545 0.55 protocols.relax.FastRelax: CMD: min -46.2223 12.3656 7.37251 0.55 protocols.relax.FastRelax: MRP: 0 -46.2223 -46.2223 12.3656 7.37251 protocols.relax.FastRelax: CMD: accept_to_best -46.2223 12.3656 7.37251 0.55 protocols.relax.FastRelax: CMD: endrepeat -46.2223 12.3656 7.37251 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -46.2223 12.3656 7.37251 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -214.473 12.3656 7.37251 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2376 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.102 12.3656 7.37251 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -234.58 12.3656 7.37251 0.02805 protocols.relax.FastRelax: CMD: min -296.272 12.4169 7.76343 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -296.272 12.4169 7.76343 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -167.424 12.4169 7.76343 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2540 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.468 12.4169 7.76343 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -178.002 12.4169 7.76343 0.154 protocols.relax.FastRelax: CMD: min -239.29 12.4226 7.74765 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -239.29 12.4226 7.74765 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -199.36 12.4226 7.74765 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2447 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.55 12.4226 7.74765 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -198.449 12.4226 7.74765 0.31955 protocols.relax.FastRelax: CMD: min -214.708 12.4337 7.70115 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -214.708 12.4337 7.70115 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -177.255 12.4337 7.70115 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2337 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -177.625 12.4337 7.70115 0.55 protocols.relax.FastRelax: CMD: min -196.169 12.5207 7.92191 0.55 protocols.relax.FastRelax: MRP: 1 -196.169 -196.169 12.5207 7.92191 protocols.relax.FastRelax: CMD: accept_to_best -196.169 12.5207 7.92191 0.55 protocols.relax.FastRelax: CMD: endrepeat -196.169 12.5207 7.92191 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -196.169 12.5207 7.92191 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -256.492 12.5207 7.92191 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2526 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -274.846 12.5207 7.92191 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -271.937 12.5207 7.92191 0.02805 protocols.relax.FastRelax: CMD: min -322.594 12.621 8.32443 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -322.594 12.621 8.32443 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -204.716 12.621 8.32443 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2638 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.277 12.621 8.32443 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -212.309 12.621 8.32443 0.154 protocols.relax.FastRelax: CMD: min -262.174 12.5261 8.12802 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.174 12.5261 8.12802 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -221.612 12.5261 8.12802 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2411 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.922 12.5261 8.12802 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -218.769 12.5261 8.12802 0.31955 protocols.relax.FastRelax: CMD: min -228.932 12.4991 8.03495 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -228.932 12.4991 8.03495 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -188.068 12.4991 8.03495 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2303 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -188.312 12.4991 8.03495 0.55 protocols.relax.FastRelax: CMD: min -204.7 12.6942 8.07231 0.55 protocols.relax.FastRelax: MRP: 2 -204.7 -204.7 12.6942 8.07231 protocols.relax.FastRelax: CMD: accept_to_best -204.7 12.6942 8.07231 0.55 protocols.relax.FastRelax: CMD: endrepeat -204.7 12.6942 8.07231 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -204.7 12.6942 8.07231 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -265.644 12.6942 8.07231 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2678 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -281.066 12.6942 8.07231 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -278.409 12.6942 8.07231 0.02805 protocols.relax.FastRelax: CMD: min -325.488 12.5861 8.22154 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -325.488 12.5861 8.22154 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -184.811 12.5861 8.22154 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2680 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -214.157 12.5861 8.22154 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -207.498 12.5861 8.22154 0.154 protocols.relax.FastRelax: CMD: min -268.227 12.4716 8.05457 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -268.227 12.4716 8.05457 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -227.22 12.4716 8.05457 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2476 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.564 12.4716 8.05457 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -224.379 12.4716 8.05457 0.31955 protocols.relax.FastRelax: CMD: min -232.194 12.4446 7.98845 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -232.194 12.4446 7.98845 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -188.869 12.4446 7.98845 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2358 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -189.425 12.4446 7.98845 0.55 protocols.relax.FastRelax: CMD: min -206.972 12.6043 8.09056 0.55 protocols.relax.FastRelax: MRP: 3 -206.972 -206.972 12.6043 8.09056 protocols.relax.FastRelax: CMD: accept_to_best -206.972 12.6043 8.09056 0.55 protocols.relax.FastRelax: CMD: endrepeat -206.972 12.6043 8.09056 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -206.972 12.6043 8.09056 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -269.29 12.6043 8.09056 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2699 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -285.182 12.6043 8.09056 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -282.718 12.6043 8.09056 0.02805 protocols.relax.FastRelax: CMD: min -325.495 12.5752 8.20004 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -325.495 12.5752 8.20004 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -207.512 12.5752 8.20004 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2751 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.765 12.5752 8.20004 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -224.308 12.5752 8.20004 0.154 protocols.relax.FastRelax: CMD: min -265.107 12.5031 8.068 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -265.107 12.5031 8.068 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -224.589 12.5031 8.068 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2618 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.982 12.5031 8.068 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -221.877 12.5031 8.068 0.31955 protocols.relax.FastRelax: CMD: min -230.928 12.491 8.00744 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -230.928 12.491 8.00744 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -189.947 12.491 8.00744 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2359 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -190.125 12.491 8.00744 0.55 protocols.relax.FastRelax: CMD: min -206.146 12.5388 8.11535 0.55 protocols.relax.FastRelax: MRP: 4 -206.146 -206.972 12.6043 8.09056 protocols.relax.FastRelax: CMD: accept_to_best -206.146 12.5388 8.11535 0.55 protocols.relax.FastRelax: CMD: endrepeat -206.146 12.5388 8.11535 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_12.pdb protocols.relax.FastRelax: CMD: repeat 76912.7 15.1428 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 76912.7 15.1428 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7064.23 15.1428 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2929 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.877 15.1428 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -152.379 15.1428 0 0.02805 protocols.relax.FastRelax: CMD: min -311.078 15.1624 3.4009 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -311.078 15.1624 3.4009 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -152.805 15.1624 3.4009 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2810 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -172.964 15.1624 3.4009 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -163.903 15.1624 3.4009 0.154 protocols.relax.FastRelax: CMD: min -248.873 15.0484 3.44548 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -248.873 15.0484 3.44548 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -193.121 15.0484 3.44548 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2452 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.883 15.0484 3.44548 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -190.592 15.0484 3.44548 0.31955 protocols.relax.FastRelax: CMD: min -208.333 14.9675 3.40953 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -208.333 14.9675 3.40953 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -154.784 14.9675 3.40953 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2438 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -155.226 14.9675 3.40953 0.55 protocols.relax.FastRelax: CMD: min -194.733 14.7973 3.52181 0.55 protocols.relax.FastRelax: MRP: 0 -194.733 -194.733 14.7973 3.52181 protocols.relax.FastRelax: CMD: accept_to_best -194.733 14.7973 3.52181 0.55 protocols.relax.FastRelax: CMD: endrepeat -194.733 14.7973 3.52181 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -194.733 14.7973 3.52181 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -268.031 14.7973 3.52181 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2536 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -283.287 14.7973 3.52181 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -280.07 14.7973 3.52181 0.02805 protocols.relax.FastRelax: CMD: min -343.372 14.4198 3.86562 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -343.372 14.4198 3.86562 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -197.726 14.4198 3.86562 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2973 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.791 14.4198 3.86562 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -210.446 14.4198 3.86562 0.154 protocols.relax.FastRelax: CMD: min -273.328 14.5766 3.84465 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -273.328 14.5766 3.84465 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -223.358 14.5766 3.84465 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2454 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.178 14.5766 3.84465 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -215.485 14.5766 3.84465 0.31955 protocols.relax.FastRelax: CMD: min -233.459 14.6346 3.90455 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -233.459 14.6346 3.90455 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -187.448 14.6346 3.90455 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2366 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -187.55 14.6346 3.90455 0.55 protocols.relax.FastRelax: CMD: min -207.513 14.757 4.00617 0.55 protocols.relax.FastRelax: MRP: 1 -207.513 -207.513 14.757 4.00617 protocols.relax.FastRelax: CMD: accept_to_best -207.513 14.757 4.00617 0.55 protocols.relax.FastRelax: CMD: endrepeat -207.513 14.757 4.00617 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -207.513 14.757 4.00617 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -282.191 14.757 4.00617 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2480 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.426 14.757 4.00617 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -291.063 14.757 4.00617 0.02805 protocols.relax.FastRelax: CMD: min -364.483 14.3054 4.46893 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -364.483 14.3054 4.46893 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -187.596 14.3054 4.46893 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3037 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -212.593 14.3054 4.46893 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -203.599 14.3054 4.46893 0.154 protocols.relax.FastRelax: CMD: min -276.486 14.3461 4.28776 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -276.486 14.3461 4.28776 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -221.118 14.3461 4.28776 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2626 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -222.075 14.3461 4.28776 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -217.885 14.3461 4.28776 0.31955 protocols.relax.FastRelax: CMD: min -238.644 14.3536 4.27402 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -238.644 14.3536 4.27402 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -191.134 14.3536 4.27402 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2468 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -191.703 14.3536 4.27402 0.55 protocols.relax.FastRelax: CMD: min -221.158 14.4276 4.4209 0.55 protocols.relax.FastRelax: MRP: 2 -221.158 -221.158 14.4276 4.4209 protocols.relax.FastRelax: CMD: accept_to_best -221.158 14.4276 4.4209 0.55 protocols.relax.FastRelax: CMD: endrepeat -221.158 14.4276 4.4209 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -221.158 14.4276 4.4209 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -293.834 14.4276 4.4209 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2718 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -307.635 14.4276 4.4209 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -304.031 14.4276 4.4209 0.02805 protocols.relax.FastRelax: CMD: min -366.97 14.2444 4.55354 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -366.97 14.2444 4.55354 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.819 14.2444 4.55354 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3044 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.115 14.2444 4.55354 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -235.578 14.2444 4.55354 0.154 protocols.relax.FastRelax: CMD: min -296.619 14.2303 4.50529 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -296.619 14.2303 4.50529 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -247.37 14.2303 4.50529 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2622 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -248.025 14.2303 4.50529 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -244.218 14.2303 4.50529 0.31955 protocols.relax.FastRelax: CMD: min -257.898 14.3194 4.42352 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -257.898 14.3194 4.42352 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -210.007 14.3194 4.42352 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2463 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.122 14.3194 4.42352 0.55 protocols.relax.FastRelax: CMD: min -230.511 14.3048 4.54786 0.55 protocols.relax.FastRelax: MRP: 3 -230.511 -230.511 14.3048 4.54786 protocols.relax.FastRelax: CMD: accept_to_best -230.511 14.3048 4.54786 0.55 protocols.relax.FastRelax: CMD: endrepeat -230.511 14.3048 4.54786 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -230.511 14.3048 4.54786 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -305.293 14.3048 4.54786 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2894 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -314.427 14.3048 4.54786 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -312.488 14.3048 4.54786 0.02805 protocols.relax.FastRelax: CMD: min -371.599 14.1916 4.82519 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -371.599 14.1916 4.82519 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -226.439 14.1916 4.82519 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3192 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.327 14.1916 4.82519 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -236.203 14.1916 4.82519 0.154 protocols.relax.FastRelax: CMD: min -297.72 14.2881 4.65724 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -297.72 14.2881 4.65724 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -243.281 14.2881 4.65724 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2691 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.494 14.2881 4.65724 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -240.241 14.2881 4.65724 0.31955 protocols.relax.FastRelax: CMD: min -258.676 14.3236 4.60503 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -258.676 14.3236 4.60503 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -209.144 14.3236 4.60503 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2434 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.822 14.3236 4.60503 0.55 protocols.relax.FastRelax: CMD: min -231.316 14.3035 4.54563 0.55 protocols.relax.FastRelax: MRP: 4 -231.316 -231.316 14.3035 4.54563 protocols.relax.FastRelax: CMD: accept_to_best -231.316 14.3035 4.54563 0.55 protocols.relax.FastRelax: CMD: endrepeat -231.316 14.3035 4.54563 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_48.pdb protocols.relax.FastRelax: CMD: repeat 70356.3 15.3394 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70356.3 15.3394 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6411.02 15.3394 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2499 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -96.5825 15.3394 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -87.6221 15.3394 0 0.02805 protocols.relax.FastRelax: CMD: min 662.276 14.8985 4.95712 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight 662.276 14.8985 4.95712 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 4862.39 14.8985 4.95712 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2923 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 4364.65 14.8985 4.95712 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 4629.24 14.8985 4.95712 0.154 protocols.relax.FastRelax: CMD: min -196.642 16.0793 4.60223 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -196.642 16.0793 4.60223 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -153.526 16.0793 4.60223 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2441 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.086 16.0793 4.60223 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -161.998 16.0793 4.60223 0.31955 protocols.relax.FastRelax: CMD: min -183.084 15.9791 4.83532 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -183.084 15.9791 4.83532 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -140.837 15.9791 4.83532 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2392 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -141.994 15.9791 4.83532 0.55 protocols.relax.FastRelax: CMD: min -174.697 16.1977 5.14847 0.55 protocols.relax.FastRelax: MRP: 0 -174.697 -174.697 16.1977 5.14847 protocols.relax.FastRelax: CMD: accept_to_best -174.697 16.1977 5.14847 0.55 protocols.relax.FastRelax: CMD: endrepeat -174.697 16.1977 5.14847 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -174.697 16.1977 5.14847 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -242.59 16.1977 5.14847 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2629 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.11 16.1977 5.14847 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -254.557 16.1977 5.14847 0.02805 protocols.relax.FastRelax: CMD: min -306.262 15.953 5.09055 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -306.262 15.953 5.09055 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -165.341 15.953 5.09055 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2799 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -192.549 15.953 5.09055 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -185.569 15.953 5.09055 0.154 protocols.relax.FastRelax: CMD: min -246.562 16.0241 4.78184 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -246.562 16.0241 4.78184 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -203.814 16.0241 4.78184 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2665 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -204.805 16.0241 4.78184 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -201.505 16.0241 4.78184 0.31955 protocols.relax.FastRelax: CMD: min -209.942 16.0436 4.81425 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -209.942 16.0436 4.81425 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -163.503 16.0436 4.81425 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2537 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -163.723 16.0436 4.81425 0.55 protocols.relax.FastRelax: CMD: min -194.63 16.1424 5.17709 0.55 protocols.relax.FastRelax: MRP: 1 -194.63 -194.63 16.1424 5.17709 protocols.relax.FastRelax: CMD: accept_to_best -194.63 16.1424 5.17709 0.55 protocols.relax.FastRelax: CMD: endrepeat -194.63 16.1424 5.17709 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -194.63 16.1424 5.17709 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -263.715 16.1424 5.17709 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2637 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.709 16.1424 5.17709 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.299 16.1424 5.17709 0.02805 protocols.relax.FastRelax: CMD: min -309.561 15.9855 5.37443 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -309.561 15.9855 5.37443 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -185.638 15.9855 5.37443 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2915 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -220.243 15.9855 5.37443 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -214.934 15.9855 5.37443 0.154 protocols.relax.FastRelax: CMD: min -260.611 15.9742 5.12277 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -260.611 15.9742 5.12277 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -219.656 15.9742 5.12277 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2716 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -220.534 15.9742 5.12277 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -217.288 15.9742 5.12277 0.31955 protocols.relax.FastRelax: CMD: min -226.799 16.0418 5.05652 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -226.799 16.0418 5.05652 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -183.136 16.0418 5.05652 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2488 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -183.72 16.0418 5.05652 0.55 protocols.relax.FastRelax: CMD: min -199.638 16.1439 4.97478 0.55 protocols.relax.FastRelax: MRP: 2 -199.638 -199.638 16.1439 4.97478 protocols.relax.FastRelax: CMD: accept_to_best -199.638 16.1439 4.97478 0.55 protocols.relax.FastRelax: CMD: endrepeat -199.638 16.1439 4.97478 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -199.638 16.1439 4.97478 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -269.102 16.1439 4.97478 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2741 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -280.437 16.1439 4.97478 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -278.185 16.1439 4.97478 0.02805 protocols.relax.FastRelax: CMD: min -322.447 15.902 5.30106 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -322.447 15.902 5.30106 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -208.584 15.902 5.30106 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2937 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.115 15.902 5.30106 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -221.277 15.902 5.30106 0.154 protocols.relax.FastRelax: CMD: min -260.149 15.9565 5.15522 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -260.149 15.9565 5.15522 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -217.589 15.9565 5.15522 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2829 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.435 15.9565 5.15522 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -215.078 15.9565 5.15522 0.31955 protocols.relax.FastRelax: CMD: min -225.955 16.0276 5.0477 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -225.955 16.0276 5.0477 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -179.76 16.0276 5.0477 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2525 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -180.033 16.0276 5.0477 0.55 protocols.relax.FastRelax: CMD: min -200.864 16.1415 5.16031 0.55 protocols.relax.FastRelax: MRP: 3 -200.864 -200.864 16.1415 5.16031 protocols.relax.FastRelax: CMD: accept_to_best -200.864 16.1415 5.16031 0.55 protocols.relax.FastRelax: CMD: endrepeat -200.864 16.1415 5.16031 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -200.864 16.1415 5.16031 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -270.881 16.1415 5.16031 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2597 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -280.502 16.1415 5.16031 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -278.272 16.1415 5.16031 0.02805 protocols.relax.FastRelax: CMD: min -321.756 15.9178 5.35449 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -321.756 15.9178 5.35449 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -192.161 15.9178 5.35449 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2921 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.446 15.9178 5.35449 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -209.81 15.9178 5.35449 0.154 protocols.relax.FastRelax: CMD: min -262.606 16.027 5.18439 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.606 16.027 5.18439 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -219.372 16.027 5.18439 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2717 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.74 16.027 5.18439 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -216.342 16.027 5.18439 0.31955 protocols.relax.FastRelax: CMD: min -225.867 16.0809 5.13794 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -225.867 16.0809 5.13794 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -181.392 16.0809 5.13794 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2493 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.425 16.0809 5.13794 0.55 protocols.relax.FastRelax: CMD: min -202.791 16.1437 5.1884 0.55 protocols.relax.FastRelax: MRP: 4 -202.791 -202.791 16.1437 5.1884 protocols.relax.FastRelax: CMD: accept_to_best -202.791 16.1437 5.1884 0.55 protocols.relax.FastRelax: CMD: endrepeat -202.791 16.1437 5.1884 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_36.pdb protocols.relax.FastRelax: CMD: repeat 71952.4 15.0595 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71952.4 15.0595 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7086.53 15.0595 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3169 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -40.767 15.0595 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -9.73532 15.0595 0 0.02805 protocols.relax.FastRelax: CMD: min -135.143 14.0792 4.14279 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -135.143 14.0792 4.14279 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 530.747 14.0792 4.14279 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2880 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -141.589 14.0792 4.14279 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -134.046 14.0792 4.14279 0.154 protocols.relax.FastRelax: CMD: min -212.102 14.2408 4.41033 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -212.102 14.2408 4.41033 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -169.799 14.2408 4.41033 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2757 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -174.489 14.2408 4.41033 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -171.194 14.2408 4.41033 0.31955 protocols.relax.FastRelax: CMD: min -186.066 14.2543 4.34733 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -186.066 14.2543 4.34733 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -143.22 14.2543 4.34733 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2664 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -144.426 14.2543 4.34733 0.55 protocols.relax.FastRelax: CMD: min -190.533 14.2332 4.72075 0.55 protocols.relax.FastRelax: MRP: 0 -190.533 -190.533 14.2332 4.72075 protocols.relax.FastRelax: CMD: accept_to_best -190.533 14.2332 4.72075 0.55 protocols.relax.FastRelax: CMD: endrepeat -190.533 14.2332 4.72075 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -190.533 14.2332 4.72075 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -252.056 14.2332 4.72075 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3054 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -265.379 14.2332 4.72075 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -262.493 14.2332 4.72075 0.02805 protocols.relax.FastRelax: CMD: min -311.652 14.3105 4.77921 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -311.652 14.3105 4.77921 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -186.041 14.3105 4.77921 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3137 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -211.977 14.3105 4.77921 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -205.642 14.3105 4.77921 0.154 protocols.relax.FastRelax: CMD: min -258.979 14.3366 4.77633 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.979 14.3366 4.77633 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -217.274 14.3366 4.77633 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3080 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.71 14.3366 4.77633 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -215.545 14.3366 4.77633 0.31955 protocols.relax.FastRelax: CMD: min -225.196 14.3579 4.71411 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -225.196 14.3579 4.71411 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -182.674 14.3579 4.71411 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2941 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -182.763 14.3579 4.71411 0.55 protocols.relax.FastRelax: CMD: min -208.778 14.084 5.24525 0.55 protocols.relax.FastRelax: MRP: 1 -208.778 -208.778 14.084 5.24525 protocols.relax.FastRelax: CMD: accept_to_best -208.778 14.084 5.24525 0.55 protocols.relax.FastRelax: CMD: endrepeat -208.778 14.084 5.24525 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -208.778 14.084 5.24525 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.537 14.084 5.24525 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3043 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -281.006 14.084 5.24525 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -278.993 14.084 5.24525 0.02805 protocols.relax.FastRelax: CMD: min -327.401 13.9698 5.49336 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -327.401 13.9698 5.49336 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -208.148 13.9698 5.49336 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3428 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.329 13.9698 5.49336 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -217.988 13.9698 5.49336 0.154 protocols.relax.FastRelax: CMD: min -268.425 14.067 5.41096 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -268.425 14.067 5.41096 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -229.361 14.067 5.41096 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3037 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.47 14.067 5.41096 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.406 14.067 5.41096 0.31955 protocols.relax.FastRelax: CMD: min -235.712 14.0747 5.37158 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.712 14.0747 5.37158 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -196.421 14.0747 5.37158 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2836 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -196.447 14.0747 5.37158 0.55 protocols.relax.FastRelax: CMD: min -213.102 14.0487 5.52385 0.55 protocols.relax.FastRelax: MRP: 2 -213.102 -213.102 14.0487 5.52385 protocols.relax.FastRelax: CMD: accept_to_best -213.102 14.0487 5.52385 0.55 protocols.relax.FastRelax: CMD: endrepeat -213.102 14.0487 5.52385 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -213.102 14.0487 5.52385 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -276.44 14.0487 5.52385 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3015 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -284.07 14.0487 5.52385 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -281.765 14.0487 5.52385 0.02805 protocols.relax.FastRelax: CMD: min -331.066 14.0439 5.78744 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -331.066 14.0439 5.78744 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -212.275 14.0439 5.78744 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3382 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.877 14.0439 5.78744 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.998 14.0439 5.78744 0.154 protocols.relax.FastRelax: CMD: min -270.586 14.0973 5.82356 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.586 14.0973 5.82356 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -229.031 14.0973 5.82356 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3015 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.28 14.0973 5.82356 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.005 14.0973 5.82356 0.31955 protocols.relax.FastRelax: CMD: min -239.747 14.1075 5.83981 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -239.747 14.1075 5.83981 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -201.856 14.1075 5.83981 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2844 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.978 14.1075 5.83981 0.55 protocols.relax.FastRelax: CMD: min -215.892 14.0481 5.67493 0.55 protocols.relax.FastRelax: MRP: 3 -215.892 -215.892 14.0481 5.67493 protocols.relax.FastRelax: CMD: accept_to_best -215.892 14.0481 5.67493 0.55 protocols.relax.FastRelax: CMD: endrepeat -215.892 14.0481 5.67493 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -215.892 14.0481 5.67493 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -280.635 14.0481 5.67493 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3054 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -290.159 14.0481 5.67493 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -287.7 14.0481 5.67493 0.02805 protocols.relax.FastRelax: CMD: min -341.455 13.9381 5.91322 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -341.455 13.9381 5.91322 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -209.392 13.9381 5.91322 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3494 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.259 13.9381 5.91322 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -219.202 13.9381 5.91322 0.154 protocols.relax.FastRelax: CMD: min -275.493 14.0708 5.93718 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -275.493 14.0708 5.93718 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -230.831 14.0708 5.93718 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2878 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -231.455 14.0708 5.93718 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -227.975 14.0708 5.93718 0.31955 protocols.relax.FastRelax: CMD: min -241.821 14.0584 5.92128 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -241.821 14.0584 5.92128 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -201.016 14.0584 5.92128 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2827 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.141 14.0584 5.92128 0.55 protocols.relax.FastRelax: CMD: min -216.733 14.1202 5.89802 0.55 protocols.relax.FastRelax: MRP: 4 -216.733 -216.733 14.1202 5.89802 protocols.relax.FastRelax: CMD: accept_to_best -216.733 14.1202 5.89802 0.55 protocols.relax.FastRelax: CMD: endrepeat -216.733 14.1202 5.89802 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_33.pdb protocols.relax.FastRelax: CMD: repeat 76532.7 13.1156 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 76532.7 13.1156 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7326.89 13.1156 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2814 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -82.4603 13.1156 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -48.8413 13.1156 0 0.02805 protocols.relax.FastRelax: CMD: min -278.174 12.9791 2.99704 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -278.174 12.9791 2.99704 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -128.754 12.9791 2.99704 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2841 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -158.212 12.9791 2.99704 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -150.294 12.9791 2.99704 0.154 protocols.relax.FastRelax: CMD: min -224.728 13.1705 3.17839 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -224.728 13.1705 3.17839 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -174.449 13.1705 3.17839 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2583 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -175.047 13.1705 3.17839 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -171.453 13.1705 3.17839 0.31955 protocols.relax.FastRelax: CMD: min -189.638 13.287 3.2536 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -189.638 13.287 3.2536 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -145.017 13.287 3.2536 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2387 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -146.199 13.287 3.2536 0.55 protocols.relax.FastRelax: CMD: min -189.463 13.7678 6.04119 0.55 protocols.relax.FastRelax: MRP: 0 -189.463 -189.463 13.7678 6.04119 protocols.relax.FastRelax: CMD: accept_to_best -189.463 13.7678 6.04119 0.55 protocols.relax.FastRelax: CMD: endrepeat -189.463 13.7678 6.04119 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -189.463 13.7678 6.04119 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -270.082 13.7678 6.04119 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3143 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -280.458 13.7678 6.04119 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -278.318 13.7678 6.04119 0.02805 protocols.relax.FastRelax: CMD: min -338.356 13.4922 5.374 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -338.356 13.4922 5.374 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -203.02 13.4922 5.374 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3069 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.182 13.4922 5.374 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -215.873 13.4922 5.374 0.154 protocols.relax.FastRelax: CMD: min -278.233 13.3887 5.14088 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -278.233 13.3887 5.14088 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -232.54 13.3887 5.14088 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2839 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.368 13.3887 5.14088 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.808 13.3887 5.14088 0.31955 protocols.relax.FastRelax: CMD: min -243.2 13.1825 5.30817 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -243.2 13.1825 5.30817 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -197.96 13.1825 5.30817 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2564 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -198.139 13.1825 5.30817 0.55 protocols.relax.FastRelax: CMD: min -219.961 12.991 5.4264 0.55 protocols.relax.FastRelax: MRP: 1 -219.961 -219.961 12.991 5.4264 protocols.relax.FastRelax: CMD: accept_to_best -219.961 12.991 5.4264 0.55 protocols.relax.FastRelax: CMD: endrepeat -219.961 12.991 5.4264 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -219.961 12.991 5.4264 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -284.75 12.991 5.4264 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2945 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -288.978 12.991 5.4264 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -286.683 12.991 5.4264 0.02805 protocols.relax.FastRelax: CMD: min -333.37 12.9827 5.01548 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -333.37 12.9827 5.01548 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -184.804 12.9827 5.01548 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3155 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.716 12.9827 5.01548 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -202.366 12.9827 5.01548 0.154 protocols.relax.FastRelax: CMD: min -266.848 12.904 5.34785 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -266.848 12.904 5.34785 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -223.256 12.904 5.34785 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2741 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.322 12.904 5.34785 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -220.908 12.904 5.34785 0.31955 protocols.relax.FastRelax: CMD: min -239.085 12.9933 5.27835 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -239.085 12.9933 5.27835 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -199.588 12.9933 5.27835 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2575 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -199.779 12.9933 5.27835 0.55 protocols.relax.FastRelax: CMD: min -217.487 13.0428 5.32826 0.55 protocols.relax.FastRelax: MRP: 2 -217.487 -219.961 12.991 5.4264 protocols.relax.FastRelax: CMD: accept_to_best -217.487 13.0428 5.32826 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.487 13.0428 5.32826 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.487 13.0428 5.32826 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.172 13.0428 5.32826 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3188 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -287.942 13.0428 5.32826 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.847 13.0428 5.32826 0.02805 protocols.relax.FastRelax: CMD: min -342.649 12.9229 5.11458 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -342.649 12.9229 5.11458 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -209.562 12.9229 5.11458 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3115 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.901 12.9229 5.11458 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -223.048 12.9229 5.11458 0.154 protocols.relax.FastRelax: CMD: min -274.089 12.9353 5.06175 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -274.089 12.9353 5.06175 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -226.833 12.9353 5.06175 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2786 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -228.217 12.9353 5.06175 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -224.581 12.9353 5.06175 0.31955 protocols.relax.FastRelax: CMD: min -242.579 12.9771 5.08769 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.579 12.9771 5.08769 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.745 12.9771 5.08769 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2730 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.819 12.9771 5.08769 0.55 protocols.relax.FastRelax: CMD: min -221.386 12.9747 5.3151 0.55 protocols.relax.FastRelax: MRP: 3 -221.386 -221.386 12.9747 5.3151 protocols.relax.FastRelax: CMD: accept_to_best -221.386 12.9747 5.3151 0.55 protocols.relax.FastRelax: CMD: endrepeat -221.386 12.9747 5.3151 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -221.386 12.9747 5.3151 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -286.692 12.9747 5.3151 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3039 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.486 12.9747 5.3151 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -292.892 12.9747 5.3151 0.02805 protocols.relax.FastRelax: CMD: min -342.86 12.8303 4.81183 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -342.86 12.8303 4.81183 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -217.276 12.8303 4.81183 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3140 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.149 12.8303 4.81183 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -219.604 12.8303 4.81183 0.154 protocols.relax.FastRelax: CMD: min -271.977 12.7736 4.78275 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -271.977 12.7736 4.78275 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -230.944 12.7736 4.78275 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2809 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.856 12.7736 4.78275 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.519 12.7736 4.78275 0.31955 protocols.relax.FastRelax: CMD: min -242.982 12.816 4.83784 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -242.982 12.816 4.83784 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.94 12.816 4.83784 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2781 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.197 12.816 4.83784 0.55 protocols.relax.FastRelax: CMD: min -218.638 12.7847 5.33492 0.55 protocols.relax.FastRelax: MRP: 4 -218.638 -221.386 12.9747 5.3151 protocols.relax.FastRelax: CMD: accept_to_best -218.638 12.7847 5.33492 0.55 protocols.relax.FastRelax: CMD: endrepeat -218.638 12.7847 5.33492 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_40.pdb protocols.relax.FastRelax: CMD: repeat 71498.3 14.0993 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71498.3 14.0993 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7957.03 14.0993 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3373 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 163.145 14.0993 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 206.444 14.0993 0 0.02805 protocols.relax.FastRelax: CMD: min -248.009 13.8549 3.3877 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -248.009 13.8549 3.3877 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -74.5102 13.8549 3.3877 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3220 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -108.701 13.8549 3.3877 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -99.3436 13.8549 3.3877 0.154 protocols.relax.FastRelax: CMD: min -188.5 13.9609 3.25458 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -188.5 13.9609 3.25458 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -134.595 13.9609 3.25458 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2829 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -128.216 13.9609 3.25458 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -123.89 13.9609 3.25458 0.31955 protocols.relax.FastRelax: CMD: min -166.832 13.9566 3.32753 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -166.832 13.9566 3.32753 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -121.42 13.9566 3.32753 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2660 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -122.226 13.9566 3.32753 0.55 protocols.relax.FastRelax: CMD: min -171.28 14.0104 4.00727 0.55 protocols.relax.FastRelax: MRP: 0 -171.28 -171.28 14.0104 4.00727 protocols.relax.FastRelax: CMD: accept_to_best -171.28 14.0104 4.00727 0.55 protocols.relax.FastRelax: CMD: endrepeat -171.28 14.0104 4.00727 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -171.28 14.0104 4.00727 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -236.923 14.0104 4.00727 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3056 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250 14.0104 4.00727 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -246.544 14.0104 4.00727 0.02805 protocols.relax.FastRelax: CMD: min -293.106 13.9643 3.52236 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -293.106 13.9643 3.52236 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -151.779 13.9643 3.52236 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3495 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -194.337 13.9643 3.52236 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -188.265 13.9643 3.52236 0.154 protocols.relax.FastRelax: CMD: min -238.386 14.0013 3.91296 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -238.386 14.0013 3.91296 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -196.005 14.0013 3.91296 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3110 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.934 14.0013 3.91296 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -194.604 14.0013 3.91296 0.31955 protocols.relax.FastRelax: CMD: min -201.867 14.0305 3.96067 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -201.867 14.0305 3.96067 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -153.304 14.0305 3.96067 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2855 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -153.731 14.0305 3.96067 0.55 protocols.relax.FastRelax: CMD: min -184.699 14.0146 4.3107 0.55 protocols.relax.FastRelax: MRP: 1 -184.699 -184.699 14.0146 4.3107 protocols.relax.FastRelax: CMD: accept_to_best -184.699 14.0146 4.3107 0.55 protocols.relax.FastRelax: CMD: endrepeat -184.699 14.0146 4.3107 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -184.699 14.0146 4.3107 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -250.554 14.0146 4.3107 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3207 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -261.263 14.0146 4.3107 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -259.043 14.0146 4.3107 0.02805 protocols.relax.FastRelax: CMD: min -299.737 13.8903 4.15286 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -299.737 13.8903 4.15286 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -182.882 13.8903 4.15286 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3583 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.559 13.8903 4.15286 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -213.734 13.8903 4.15286 0.154 protocols.relax.FastRelax: CMD: min -244.189 13.924 4.35731 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -244.189 13.924 4.35731 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -201.726 13.924 4.35731 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3282 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -202.661 13.924 4.35731 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -199.343 13.924 4.35731 0.31955 protocols.relax.FastRelax: CMD: min -211.726 13.9787 4.34163 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -211.726 13.9787 4.34163 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -169.441 13.9787 4.34163 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2897 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -169.689 13.9787 4.34163 0.55 protocols.relax.FastRelax: CMD: min -189.509 13.88 4.85508 0.55 protocols.relax.FastRelax: MRP: 2 -189.509 -189.509 13.88 4.85508 protocols.relax.FastRelax: CMD: accept_to_best -189.509 13.88 4.85508 0.55 protocols.relax.FastRelax: CMD: endrepeat -189.509 13.88 4.85508 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -189.509 13.88 4.85508 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -255.937 13.88 4.85508 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3371 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -264.949 13.88 4.85508 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -262.338 13.88 4.85508 0.02805 protocols.relax.FastRelax: CMD: min -299.397 13.8556 4.49795 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -299.397 13.8556 4.49795 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -189.87 13.8556 4.49795 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3396 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.893 13.8556 4.49795 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -213.681 13.8556 4.49795 0.154 protocols.relax.FastRelax: CMD: min -248.534 13.8601 4.6687 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -248.534 13.8601 4.6687 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -207.132 13.8601 4.6687 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3173 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -207.74 13.8601 4.6687 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -204.528 13.8601 4.6687 0.31955 protocols.relax.FastRelax: CMD: min -211.427 13.8639 4.64648 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -211.427 13.8639 4.64648 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -165.989 13.8639 4.64648 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2917 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -166.253 13.8639 4.64648 0.55 protocols.relax.FastRelax: CMD: min -195.669 13.8997 4.6699 0.55 protocols.relax.FastRelax: MRP: 3 -195.669 -195.669 13.8997 4.6699 protocols.relax.FastRelax: CMD: accept_to_best -195.669 13.8997 4.6699 0.55 protocols.relax.FastRelax: CMD: endrepeat -195.669 13.8997 4.6699 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -195.669 13.8997 4.6699 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -260.678 13.8997 4.6699 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3266 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.034 13.8997 4.6699 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -267.071 13.8997 4.6699 0.02805 protocols.relax.FastRelax: CMD: min -313.629 13.6463 4.5652 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -313.629 13.6463 4.5652 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -173.546 13.6463 4.5652 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3464 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.918 13.6463 4.5652 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -195.025 13.6463 4.5652 0.154 protocols.relax.FastRelax: CMD: min -249.788 13.6378 4.83586 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -249.788 13.6378 4.83586 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -203.563 13.6378 4.83586 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3213 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.872 13.6378 4.83586 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -202.113 13.6378 4.83586 0.31955 protocols.relax.FastRelax: CMD: min -223.203 13.7704 4.93248 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -223.203 13.7704 4.93248 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -181.724 13.7704 4.93248 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3096 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.93 13.7704 4.93248 0.55 protocols.relax.FastRelax: CMD: min -200.528 13.857 4.90976 0.55 protocols.relax.FastRelax: MRP: 4 -200.528 -200.528 13.857 4.90976 protocols.relax.FastRelax: CMD: accept_to_best -200.528 13.857 4.90976 0.55 protocols.relax.FastRelax: CMD: endrepeat -200.528 13.857 4.90976 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_1.pdb protocols.relax.FastRelax: CMD: repeat 71395.6 14.4588 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71395.6 14.4588 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7549.95 14.4588 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2593 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.817 14.4588 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -85.4561 14.4588 0 0.02805 protocols.relax.FastRelax: CMD: min -209.313 14.4621 2.06118 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -209.313 14.4621 2.06118 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -63.8884 14.4621 2.06118 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2596 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -102.89 14.4621 2.06118 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -95.9214 14.4621 2.06118 0.154 protocols.relax.FastRelax: CMD: min -218.504 14.6595 2.33215 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -218.504 14.6595 2.33215 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -177.41 14.6595 2.33215 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2542 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.418 14.6595 2.33215 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -178.303 14.6595 2.33215 0.31955 protocols.relax.FastRelax: CMD: min -181.611 14.7134 2.36678 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -181.611 14.7134 2.36678 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -129.069 14.7134 2.36678 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2402 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.092 14.7134 2.36678 0.55 protocols.relax.FastRelax: CMD: min -196.105 14.2461 2.45581 0.55 protocols.relax.FastRelax: MRP: 0 -196.105 -196.105 14.2461 2.45581 protocols.relax.FastRelax: CMD: accept_to_best -196.105 14.2461 2.45581 0.55 protocols.relax.FastRelax: CMD: endrepeat -196.105 14.2461 2.45581 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -196.105 14.2461 2.45581 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -259.842 14.2461 2.45581 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2657 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -277.918 14.2461 2.45581 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.357 14.2461 2.45581 0.02805 protocols.relax.FastRelax: CMD: min -306.63 14.0427 2.93249 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -306.63 14.0427 2.93249 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -191.16 14.0427 2.93249 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2604 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.648 14.0427 2.93249 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -222.192 14.0427 2.93249 0.154 protocols.relax.FastRelax: CMD: min -249.84 13.906 2.74538 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -249.84 13.906 2.74538 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -209.088 13.906 2.74538 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2502 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.853 13.906 2.74538 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -206.786 13.906 2.74538 0.31955 protocols.relax.FastRelax: CMD: min -221.51 14.0064 2.69954 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -221.51 14.0064 2.69954 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -183.547 14.0064 2.69954 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2366 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.299 14.0064 2.69954 0.55 protocols.relax.FastRelax: CMD: min -201.56 14.1091 2.56593 0.55 protocols.relax.FastRelax: MRP: 1 -201.56 -201.56 14.1091 2.56593 protocols.relax.FastRelax: CMD: accept_to_best -201.56 14.1091 2.56593 0.55 protocols.relax.FastRelax: CMD: endrepeat -201.56 14.1091 2.56593 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -201.56 14.1091 2.56593 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -264.796 14.1091 2.56593 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2684 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -280.837 14.1091 2.56593 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -276.807 14.1091 2.56593 0.02805 protocols.relax.FastRelax: CMD: min -314.954 14.0634 2.92792 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -314.954 14.0634 2.92792 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -195.265 14.0634 2.92792 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2658 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.498 14.0634 2.92792 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -229.378 14.0634 2.92792 0.154 protocols.relax.FastRelax: CMD: min -256.388 14.0384 2.75018 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -256.388 14.0384 2.75018 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -218.288 14.0384 2.75018 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2492 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.051 14.0384 2.75018 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -216.157 14.0384 2.75018 0.31955 protocols.relax.FastRelax: CMD: min -227.086 13.9871 2.65879 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -227.086 13.9871 2.65879 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -189.371 13.9871 2.65879 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2375 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -188.723 13.9871 2.65879 0.55 protocols.relax.FastRelax: CMD: min -208.707 14.0117 2.6859 0.55 protocols.relax.FastRelax: MRP: 2 -208.707 -208.707 14.0117 2.6859 protocols.relax.FastRelax: CMD: accept_to_best -208.707 14.0117 2.6859 0.55 protocols.relax.FastRelax: CMD: endrepeat -208.707 14.0117 2.6859 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -208.707 14.0117 2.6859 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -269.236 14.0117 2.6859 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2783 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -283.883 14.0117 2.6859 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -280.721 14.0117 2.6859 0.02805 protocols.relax.FastRelax: CMD: min -317.167 13.9562 3.20879 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -317.167 13.9562 3.20879 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -207.267 13.9562 3.20879 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2621 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.687 13.9562 3.20879 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -233.936 13.9562 3.20879 0.154 protocols.relax.FastRelax: CMD: min -263.661 13.7579 3.21821 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -263.661 13.7579 3.21821 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -221.394 13.7579 3.21821 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2558 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.232 13.7579 3.21821 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -220.062 13.7579 3.21821 0.31955 protocols.relax.FastRelax: CMD: min -230.913 13.7282 3.12192 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -230.913 13.7282 3.12192 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -186.868 13.7282 3.12192 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2414 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -187.814 13.7282 3.12192 0.55 protocols.relax.FastRelax: CMD: min -210.602 13.4222 3.60255 0.55 protocols.relax.FastRelax: MRP: 3 -210.602 -210.602 13.4222 3.60255 protocols.relax.FastRelax: CMD: accept_to_best -210.602 13.4222 3.60255 0.55 protocols.relax.FastRelax: CMD: endrepeat -210.602 13.4222 3.60255 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -210.602 13.4222 3.60255 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -272.32 13.4222 3.60255 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2872 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -287.317 13.4222 3.60255 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.425 13.4222 3.60255 0.02805 protocols.relax.FastRelax: CMD: min -313.448 13.5963 3.84467 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -313.448 13.5963 3.84467 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -190.94 13.5963 3.84467 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2787 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.212 13.5963 3.84467 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.787 13.5963 3.84467 0.154 protocols.relax.FastRelax: CMD: min -263.432 13.4511 3.88518 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -263.432 13.4511 3.88518 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -225.913 13.4511 3.88518 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2722 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.41 13.4511 3.88518 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.519 13.4511 3.88518 0.31955 protocols.relax.FastRelax: CMD: min -234.322 13.3891 3.87738 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -234.322 13.3891 3.87738 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -193.424 13.3891 3.87738 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2485 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.547 13.3891 3.87738 0.55 protocols.relax.FastRelax: CMD: min -213.926 13.3778 4.00449 0.55 protocols.relax.FastRelax: MRP: 4 -213.926 -213.926 13.3778 4.00449 protocols.relax.FastRelax: CMD: accept_to_best -213.926 13.3778 4.00449 0.55 protocols.relax.FastRelax: CMD: endrepeat -213.926 13.3778 4.00449 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_4.pdb protocols.relax.FastRelax: CMD: repeat 66413.6 13.0939 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 66413.6 13.0939 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7147.03 13.0939 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2735 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -58.0823 13.0939 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -30.5241 13.0939 0 0.02805 protocols.relax.FastRelax: CMD: min -222.166 13.3622 2.07963 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -222.166 13.3622 2.07963 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -94.7678 13.3622 2.07963 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3230 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -118.508 13.3622 2.07963 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -111.929 13.3622 2.07963 0.154 protocols.relax.FastRelax: CMD: min -166.045 13.3778 2.0149 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -166.045 13.3778 2.0149 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -119.386 13.3778 2.0149 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2864 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -120.161 13.3778 2.0149 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -116.547 13.3778 2.0149 0.31955 protocols.relax.FastRelax: CMD: min -168.115 13.4965 1.95306 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -168.115 13.4965 1.95306 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -130.378 13.4965 1.95306 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2825 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -129.961 13.4965 1.95306 0.55 protocols.relax.FastRelax: CMD: min -168.972 13.2814 2.27868 0.55 protocols.relax.FastRelax: MRP: 0 -168.972 -168.972 13.2814 2.27868 protocols.relax.FastRelax: CMD: accept_to_best -168.972 13.2814 2.27868 0.55 protocols.relax.FastRelax: CMD: endrepeat -168.972 13.2814 2.27868 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -168.972 13.2814 2.27868 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -231.468 13.2814 2.27868 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2980 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.337 13.2814 2.27868 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -241.044 13.2814 2.27868 0.02805 protocols.relax.FastRelax: CMD: min -276.934 12.9846 2.70942 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -276.934 12.9846 2.70942 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -185.123 12.9846 2.70942 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2990 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.259 12.9846 2.70942 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -205.972 12.9846 2.70942 0.154 protocols.relax.FastRelax: CMD: min -228.123 13.0868 2.52584 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -228.123 13.0868 2.52584 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -186.334 13.0868 2.52584 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2878 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -186.826 13.0868 2.52584 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -183.625 13.0868 2.52584 0.31955 protocols.relax.FastRelax: CMD: min -207.783 13.1438 2.57999 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -207.783 13.1438 2.57999 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -171.046 13.1438 2.57999 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2752 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -171.687 13.1438 2.57999 0.55 protocols.relax.FastRelax: CMD: min -198.879 13.1859 2.53019 0.55 protocols.relax.FastRelax: MRP: 1 -198.879 -198.879 13.1859 2.53019 protocols.relax.FastRelax: CMD: accept_to_best -198.879 13.1859 2.53019 0.55 protocols.relax.FastRelax: CMD: endrepeat -198.879 13.1859 2.53019 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -198.879 13.1859 2.53019 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -260.727 13.1859 2.53019 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3227 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -266.581 13.1859 2.53019 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -264.581 13.1859 2.53019 0.02805 protocols.relax.FastRelax: CMD: min -295.866 13.0749 2.65609 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -295.866 13.0749 2.65609 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -225.088 13.0749 2.65609 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3084 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -238.825 13.0749 2.65609 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -235.394 13.0749 2.65609 0.154 protocols.relax.FastRelax: CMD: min -255.181 13.0811 2.58163 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -255.181 13.0811 2.58163 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -219.751 13.0811 2.58163 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2819 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.781 13.0811 2.58163 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -217.017 13.0811 2.58163 0.31955 protocols.relax.FastRelax: CMD: min -224.928 13.1149 2.59069 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -224.928 13.1149 2.59069 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -185.563 13.1149 2.59069 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2688 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -185.737 13.1149 2.59069 0.55 protocols.relax.FastRelax: CMD: min -202.657 13.1676 2.50227 0.55 protocols.relax.FastRelax: MRP: 2 -202.657 -202.657 13.1676 2.50227 protocols.relax.FastRelax: CMD: accept_to_best -202.657 13.1676 2.50227 0.55 protocols.relax.FastRelax: CMD: endrepeat -202.657 13.1676 2.50227 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -202.657 13.1676 2.50227 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -266.177 13.1676 2.50227 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3257 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -272.181 13.1676 2.50227 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -270.079 13.1676 2.50227 0.02805 protocols.relax.FastRelax: CMD: min -305.066 13.0722 2.8618 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -305.066 13.0722 2.8618 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -201.182 13.0722 2.8618 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3151 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.253 13.0722 2.8618 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -219.319 13.0722 2.8618 0.154 protocols.relax.FastRelax: CMD: min -258.184 13.0749 2.78426 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.184 13.0749 2.78426 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -219.864 13.0749 2.78426 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2828 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.027 13.0749 2.78426 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -217.996 13.0749 2.78426 0.31955 protocols.relax.FastRelax: CMD: min -227.16 13.1035 2.76957 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -227.16 13.1035 2.76957 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -186.332 13.1035 2.76957 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2658 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -186.73 13.1035 2.76957 0.55 protocols.relax.FastRelax: CMD: min -205.98 13.1243 2.66672 0.55 protocols.relax.FastRelax: MRP: 3 -205.98 -205.98 13.1243 2.66672 protocols.relax.FastRelax: CMD: accept_to_best -205.98 13.1243 2.66672 0.55 protocols.relax.FastRelax: CMD: endrepeat -205.98 13.1243 2.66672 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -205.98 13.1243 2.66672 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -270.164 13.1243 2.66672 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3271 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -276.377 13.1243 2.66672 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.357 13.1243 2.66672 0.02805 protocols.relax.FastRelax: CMD: min -311.469 13.0035 2.86329 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -311.469 13.0035 2.86329 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -226.304 13.0035 2.86329 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3203 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -237.681 13.0035 2.86329 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -232.94 13.0035 2.86329 0.154 protocols.relax.FastRelax: CMD: min -264.998 13.0838 2.70345 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -264.998 13.0838 2.70345 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -226.048 13.0838 2.70345 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.618 13.0838 2.70345 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -223.551 13.0838 2.70345 0.31955 protocols.relax.FastRelax: CMD: min -233.039 13.1169 2.64523 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -233.039 13.1169 2.64523 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -191.807 13.1169 2.64523 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2773 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -191.855 13.1169 2.64523 0.55 protocols.relax.FastRelax: CMD: min -207.561 13.1332 2.67334 0.55 protocols.relax.FastRelax: MRP: 4 -207.561 -207.561 13.1332 2.67334 protocols.relax.FastRelax: CMD: accept_to_best -207.561 13.1332 2.67334 0.55 protocols.relax.FastRelax: CMD: endrepeat -207.561 13.1332 2.67334 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_41.pdb protocols.relax.FastRelax: CMD: repeat 77889.9 17.9584 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 77889.9 17.9584 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7475.41 17.9584 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3088 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 144.425 17.9584 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 177.08 17.9584 0 0.02805 protocols.relax.FastRelax: CMD: min -200.075 16.1026 3.94202 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -200.075 16.1026 3.94202 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 177.375 16.1026 3.94202 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3109 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -110.814 16.1026 3.94202 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -102.458 16.1026 3.94202 0.154 protocols.relax.FastRelax: CMD: min -198.677 15.9018 4.73944 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -198.677 15.9018 4.73944 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -146.245 15.9018 4.73944 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2992 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -149.563 15.9018 4.73944 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -145.512 15.9018 4.73944 0.31955 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 4.76837e-09 Deriv= -13.7349 Finite Diff= 1.59548e+10 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 1.3001e-06 Deriv= -34.4372 Finite Diff= 5.85174e+07 core.optimization.Minimizer: Line search failed even after resetting Hessian; aborting at iter#31 protocols.relax.FastRelax: CMD: min -157.447 15.9474 4.82257 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -157.447 15.9474 4.82257 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -101.769 15.9474 4.82257 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2719 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -103.174 15.9474 4.82257 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 3.8147e-08 Deriv= -977.932 Finite Diff= 1.99435e+09 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 2.4397e-07 Deriv= -977.932 Finite Diff= 3.11835e+08 core.optimization.Minimizer: Line search failed even after resetting Hessian; aborting at iter#1 protocols.relax.FastRelax: CMD: min -103.174 15.9474 4.82257 0.55 protocols.relax.FastRelax: MRP: 0 -103.174 -103.174 15.9474 4.82257 protocols.relax.FastRelax: CMD: accept_to_best -103.174 15.9474 4.82257 0.55 protocols.relax.FastRelax: CMD: endrepeat -103.174 15.9474 4.82257 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -103.174 15.9474 4.82257 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -227.497 15.9474 4.82257 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3265 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.469 15.9474 4.82257 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -237.517 15.9474 4.82257 0.02805 protocols.relax.FastRelax: CMD: min -284.315 16.0517 4.21701 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -284.315 16.0517 4.21701 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -140.568 16.0517 4.21701 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3005 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -159.605 16.0517 4.21701 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -151.501 16.0517 4.21701 0.154 protocols.relax.FastRelax: CMD: min -209.301 16.0759 4.29922 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -209.301 16.0759 4.29922 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -152.143 16.0759 4.29922 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2931 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -153.51 16.0759 4.29922 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -149.133 16.0759 4.29922 0.31955 protocols.relax.FastRelax: CMD: min -159.045 16.1401 4.27329 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -159.045 16.1401 4.27329 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -96.4252 16.1401 4.27329 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2715 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -97.0466 16.1401 4.27329 0.55 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 9.53674e-09 Deriv= -76.3838 Finite Diff= 9.41597e+09 core.optimization.LineMinimizer: [ ERROR ] Inaccurate G! step= 6.42767e-07 Deriv= -140.888 Finite Diff= 1.39705e+08 core.optimization.Minimizer: Line search failed even after resetting Hessian; aborting at iter#22 protocols.relax.FastRelax: CMD: min -107.713 16.2152 4.31257 0.55 protocols.relax.FastRelax: MRP: 1 -107.713 -107.713 16.2152 4.31257 protocols.relax.FastRelax: CMD: accept_to_best -107.713 16.2152 4.31257 0.55 protocols.relax.FastRelax: CMD: endrepeat -107.713 16.2152 4.31257 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -107.713 16.2152 4.31257 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -226.799 16.2152 4.31257 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3157 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -243.371 16.2152 4.31257 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -240.198 16.2152 4.31257 0.02805 protocols.relax.FastRelax: CMD: min -302.535 16.165 4.04209 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -302.535 16.165 4.04209 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -102.139 16.165 4.04209 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3115 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -148.979 16.165 4.04209 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -139.783 16.165 4.04209 0.154 protocols.relax.FastRelax: CMD: min -221.428 16.1872 4.08105 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -221.428 16.1872 4.08105 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -163.497 16.1872 4.08105 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3077 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -165.043 16.1872 4.08105 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -160.527 16.1872 4.08105 0.31955 protocols.relax.FastRelax: CMD: min -175.988 16.2317 4.1293 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -175.988 16.2317 4.1293 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -118.627 16.2317 4.1293 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2931 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -118.968 16.2317 4.1293 0.55 protocols.relax.FastRelax: CMD: min -181.127 15.8554 4.9839 0.55 protocols.relax.FastRelax: MRP: 2 -181.127 -181.127 15.8554 4.9839 protocols.relax.FastRelax: CMD: accept_to_best -181.127 15.8554 4.9839 0.55 protocols.relax.FastRelax: CMD: endrepeat -181.127 15.8554 4.9839 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -181.127 15.8554 4.9839 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -252.405 15.8554 4.9839 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3463 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.105 15.8554 4.9839 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -265.727 15.8554 4.9839 0.02805 protocols.relax.FastRelax: CMD: min -318.635 15.6226 4.86587 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -318.635 15.6226 4.86587 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -162.367 15.6226 4.86587 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3369 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -186.548 15.6226 4.86587 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -178.07 15.6226 4.86587 0.154 protocols.relax.FastRelax: CMD: min -258.183 15.7108 4.8892 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.183 15.7108 4.8892 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -210.725 15.7108 4.8892 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3065 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -211.795 15.7108 4.8892 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -208.071 15.7108 4.8892 0.31955 protocols.relax.FastRelax: CMD: min -218.626 15.7548 4.89099 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -218.626 15.7548 4.89099 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -170.084 15.7548 4.89099 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2933 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -170.655 15.7548 4.89099 0.55 protocols.relax.FastRelax: CMD: min -193.728 15.9382 4.83788 0.55 protocols.relax.FastRelax: MRP: 3 -193.728 -193.728 15.9382 4.83788 protocols.relax.FastRelax: CMD: accept_to_best -193.728 15.9382 4.83788 0.55 protocols.relax.FastRelax: CMD: endrepeat -193.728 15.9382 4.83788 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -193.728 15.9382 4.83788 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -266.677 15.9382 4.83788 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3528 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -276.801 15.9382 4.83788 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -273.141 15.9382 4.83788 0.02805 protocols.relax.FastRelax: CMD: min -333.979 15.7848 4.68197 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -333.979 15.7848 4.68197 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -201.897 15.7848 4.68197 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3279 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.831 15.7848 4.68197 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -206.614 15.7848 4.68197 0.154 protocols.relax.FastRelax: CMD: min -256.718 15.8808 4.69767 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -256.718 15.8808 4.69767 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -202.888 15.8808 4.69767 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3113 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.257 15.8808 4.69767 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -199.028 15.8808 4.69767 0.31955 protocols.relax.FastRelax: CMD: min -216.516 15.9163 4.82309 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -216.516 15.9163 4.82309 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -163.813 15.9163 4.82309 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2955 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -164.51 15.9163 4.82309 0.55 protocols.relax.FastRelax: CMD: min -196.566 15.8955 5.08163 0.55 protocols.relax.FastRelax: MRP: 4 -196.566 -196.566 15.8955 5.08163 protocols.relax.FastRelax: CMD: accept_to_best -196.566 15.8955 5.08163 0.55 protocols.relax.FastRelax: CMD: endrepeat -196.566 15.8955 5.08163 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_17.pdb protocols.relax.FastRelax: CMD: repeat 71992.9 12.0551 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 71992.9 12.0551 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7498.82 12.0551 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2393 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -71.6236 12.0551 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -39.024 12.0551 0 0.02805 protocols.relax.FastRelax: CMD: min -238.397 14.9453 8.83084 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -238.397 14.9453 8.83084 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -121.723 14.9453 8.83084 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2242 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -132.09 14.9453 8.83084 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -125.608 14.9453 8.83084 0.154 protocols.relax.FastRelax: CMD: min -183.076 15.9772 10.0938 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -183.076 15.9772 10.0938 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -143.047 15.9772 10.0938 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2167 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -147.383 15.9772 10.0938 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -144.145 15.9772 10.0938 0.31955 protocols.relax.FastRelax: CMD: min -182.977 17.0989 11.5607 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -182.977 17.0989 11.5607 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -145.731 17.0989 11.5607 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2106 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -146.476 17.0989 11.5607 0.55 protocols.relax.FastRelax: CMD: min -194.384 16.6432 11.8251 0.55 protocols.relax.FastRelax: MRP: 0 -194.384 -194.384 16.6432 11.8251 protocols.relax.FastRelax: CMD: accept_to_best -194.384 16.6432 11.8251 0.55 protocols.relax.FastRelax: CMD: endrepeat -194.384 16.6432 11.8251 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -194.384 16.6432 11.8251 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -252.007 16.6432 11.8251 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2352 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -263.188 16.6432 11.8251 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -260.716 16.6432 11.8251 0.02805 protocols.relax.FastRelax: CMD: min -286.534 16.2353 11.3985 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -286.534 16.2353 11.3985 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -202.602 16.2353 11.3985 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2290 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.118 16.2353 11.3985 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -222.487 16.2353 11.3985 0.154 protocols.relax.FastRelax: CMD: min -247.385 16.5775 11.7244 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -247.385 16.5775 11.7244 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -213.299 16.5775 11.7244 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2168 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -213.414 16.5775 11.7244 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -210.929 16.5775 11.7244 0.31955 protocols.relax.FastRelax: CMD: min -224.652 16.8284 12.0784 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -224.652 16.8284 12.0784 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -192.609 16.8284 12.0784 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2143 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -192.619 16.8284 12.0784 0.55 protocols.relax.FastRelax: CMD: min -213.979 17.4057 12.5313 0.55 protocols.relax.FastRelax: MRP: 1 -213.979 -213.979 17.4057 12.5313 protocols.relax.FastRelax: CMD: accept_to_best -213.979 17.4057 12.5313 0.55 protocols.relax.FastRelax: CMD: endrepeat -213.979 17.4057 12.5313 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -213.979 17.4057 12.5313 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -270.555 17.4057 12.5313 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2327 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -276.436 17.4057 12.5313 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.36 17.4057 12.5313 0.02805 protocols.relax.FastRelax: CMD: min -294.183 16.4583 11.2917 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -294.183 16.4583 11.2917 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -222.447 16.4583 11.2917 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2324 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.117 16.4583 11.2917 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -235.758 16.4583 11.2917 0.154 protocols.relax.FastRelax: CMD: min -259.28 16.8605 11.8353 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -259.28 16.8605 11.8353 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -228.928 16.8605 11.8353 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2201 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.337 16.8605 11.8353 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -226.958 16.8605 11.8353 0.31955 protocols.relax.FastRelax: CMD: min -230.836 17.1056 12.1296 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -230.836 17.1056 12.1296 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -193.367 17.1056 12.1296 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2117 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -193.439 17.1056 12.1296 0.55 protocols.relax.FastRelax: CMD: min -215.506 17.356 12.4675 0.55 protocols.relax.FastRelax: MRP: 2 -215.506 -215.506 17.356 12.4675 protocols.relax.FastRelax: CMD: accept_to_best -215.506 17.356 12.4675 0.55 protocols.relax.FastRelax: CMD: endrepeat -215.506 17.356 12.4675 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -215.506 17.356 12.4675 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.436 17.356 12.4675 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2331 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -275.888 17.356 12.4675 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.451 17.356 12.4675 0.02805 protocols.relax.FastRelax: CMD: min -306.395 16.3818 11.2031 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -306.395 16.3818 11.2031 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -229.594 16.3818 11.2031 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2262 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.544 16.3818 11.2031 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -240.523 16.3818 11.2031 0.154 protocols.relax.FastRelax: CMD: min -261.946 16.8837 11.8886 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -261.946 16.8837 11.8886 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -226.867 16.8837 11.8886 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2174 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.001 16.8837 11.8886 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -224.261 16.8837 11.8886 0.31955 protocols.relax.FastRelax: CMD: min -235.537 17.2341 12.2924 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.537 17.2341 12.2924 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.345 17.2341 12.2924 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2155 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -201.1 17.2341 12.2924 0.55 protocols.relax.FastRelax: CMD: min -215.523 17.3484 12.4554 0.55 protocols.relax.FastRelax: MRP: 3 -215.523 -215.523 17.3484 12.4554 protocols.relax.FastRelax: CMD: accept_to_best -215.523 17.3484 12.4554 0.55 protocols.relax.FastRelax: CMD: endrepeat -215.523 17.3484 12.4554 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -215.523 17.3484 12.4554 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.458 17.3484 12.4554 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2299 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -275.725 17.3484 12.4554 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -274.043 17.3484 12.4554 0.02805 protocols.relax.FastRelax: CMD: min -303.007 16.3663 11.1988 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -303.007 16.3663 11.1988 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -201.653 16.3663 11.1988 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2210 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.913 16.3663 11.1988 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -226.314 16.3663 11.1988 0.154 protocols.relax.FastRelax: CMD: min -258.874 16.9528 12.002 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.874 16.9528 12.002 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -224.772 16.9528 12.002 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2183 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -226.763 16.9528 12.002 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -224.007 16.9528 12.002 0.31955 protocols.relax.FastRelax: CMD: min -235.245 17.304 12.362 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -235.245 17.304 12.362 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -199.903 17.304 12.362 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2096 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -200.105 17.304 12.362 0.55 protocols.relax.FastRelax: CMD: min -217.693 17.3527 12.4679 0.55 protocols.relax.FastRelax: MRP: 4 -217.693 -217.693 17.3527 12.4679 protocols.relax.FastRelax: CMD: accept_to_best -217.693 17.3527 12.4679 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.693 17.3527 12.4679 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_29.pdb protocols.relax.FastRelax: CMD: repeat 69711.7 13.2347 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69711.7 13.2347 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7333.56 13.2347 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2820 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 149.193 13.2347 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 189.837 13.2347 0 0.02805 protocols.relax.FastRelax: CMD: min -276.932 12.7345 2.61555 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -276.932 12.7345 2.61555 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -142.444 12.7345 2.61555 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2737 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -167.084 12.7345 2.61555 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -160.543 12.7345 2.61555 0.154 protocols.relax.FastRelax: CMD: min -221.714 13.0691 3.86107 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -221.714 13.0691 3.86107 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -181.165 13.0691 3.86107 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2578 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -178.902 13.0691 3.86107 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -175.627 13.0691 3.86107 0.31955 protocols.relax.FastRelax: CMD: min -184.79 13.0378 3.87203 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -184.79 13.0378 3.87203 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -136.957 13.0378 3.87203 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2565 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -138.673 13.0378 3.87203 0.55 protocols.relax.FastRelax: CMD: min -225.818 13.5342 5.37054 0.55 protocols.relax.FastRelax: MRP: 0 -225.818 -225.818 13.5342 5.37054 protocols.relax.FastRelax: CMD: accept_to_best -225.818 13.5342 5.37054 0.55 protocols.relax.FastRelax: CMD: endrepeat -225.818 13.5342 5.37054 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -225.818 13.5342 5.37054 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.47 13.5342 5.37054 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2468 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -295.885 13.5342 5.37054 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -294.357 13.5342 5.37054 0.02805 protocols.relax.FastRelax: CMD: min -327.575 13.1661 4.99122 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -327.575 13.1661 4.99122 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -203.31 13.1661 4.99122 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2751 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.515 13.1661 4.99122 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -228.33 13.1661 4.99122 0.154 protocols.relax.FastRelax: CMD: min -270.579 13.2668 5.03173 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -270.579 13.2668 5.03173 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -234.795 13.2668 5.03173 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2547 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.191 13.2668 5.03173 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -231.471 13.2668 5.03173 0.31955 protocols.relax.FastRelax: CMD: min -239.979 13.3368 5.14903 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -239.979 13.3368 5.14903 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -204.6 13.3368 5.14903 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2448 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.604 13.3368 5.14903 0.55 protocols.relax.FastRelax: CMD: min -232.429 13.5635 5.56144 0.55 protocols.relax.FastRelax: MRP: 1 -232.429 -232.429 13.5635 5.56144 protocols.relax.FastRelax: CMD: accept_to_best -232.429 13.5635 5.56144 0.55 protocols.relax.FastRelax: CMD: endrepeat -232.429 13.5635 5.56144 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -232.429 13.5635 5.56144 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -290.086 13.5635 5.56144 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2769 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -306.66 13.5635 5.56144 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -304.938 13.5635 5.56144 0.02805 protocols.relax.FastRelax: CMD: min -344.286 13.0341 5.14541 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -344.286 13.0341 5.14541 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -250.717 13.0341 5.14541 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2899 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -265.768 13.0341 5.14541 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -260.945 13.0341 5.14541 0.154 protocols.relax.FastRelax: CMD: min -293.162 13.1483 5.25004 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -293.162 13.1483 5.25004 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -253.812 13.1483 5.25004 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2545 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -255.424 13.1483 5.25004 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -252.419 13.1483 5.25004 0.31955 protocols.relax.FastRelax: CMD: min -263.226 13.2769 5.39361 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -263.226 13.2769 5.39361 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -225.349 13.2769 5.39361 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2466 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.472 13.2769 5.39361 0.55 protocols.relax.FastRelax: CMD: min -243.535 13.4323 5.73374 0.55 protocols.relax.FastRelax: MRP: 2 -243.535 -243.535 13.4323 5.73374 protocols.relax.FastRelax: CMD: accept_to_best -243.535 13.4323 5.73374 0.55 protocols.relax.FastRelax: CMD: endrepeat -243.535 13.4323 5.73374 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -243.535 13.4323 5.73374 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -301.738 13.4323 5.73374 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2906 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -311.409 13.4323 5.73374 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -309.762 13.4323 5.73374 0.02805 protocols.relax.FastRelax: CMD: min -343.194 12.9045 5.21104 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -343.194 12.9045 5.21104 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -226.225 12.9045 5.21104 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3049 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -250.717 12.9045 5.21104 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -245.151 12.9045 5.21104 0.154 protocols.relax.FastRelax: CMD: min -292.558 13.0596 5.15862 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -292.558 13.0596 5.15862 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -254.985 13.0596 5.15862 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2990 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -257.421 13.0596 5.15862 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -254.488 13.0596 5.15862 0.31955 protocols.relax.FastRelax: CMD: min -263.409 13.0884 5.16578 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -263.409 13.0884 5.16578 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -223.806 13.0884 5.16578 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2767 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -224.038 13.0884 5.16578 0.55 protocols.relax.FastRelax: CMD: min -241.446 13.3201 5.37152 0.55 protocols.relax.FastRelax: MRP: 3 -241.446 -243.535 13.4323 5.73374 protocols.relax.FastRelax: CMD: accept_to_best -241.446 13.3201 5.37152 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.446 13.3201 5.37152 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -241.446 13.3201 5.37152 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -300.769 13.3201 5.37152 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3189 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -312.453 13.3201 5.37152 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.376 13.3201 5.37152 0.02805 protocols.relax.FastRelax: CMD: min -345.862 12.8754 4.55611 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -345.862 12.8754 4.55611 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -226.294 12.8754 4.55611 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3116 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -255.07 12.8754 4.55611 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -249.538 12.8754 4.55611 0.154 protocols.relax.FastRelax: CMD: min -295.73 12.9842 4.71059 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -295.73 12.9842 4.71059 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -258.574 12.9842 4.71059 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3019 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -259.458 12.9842 4.71059 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -256.631 12.9842 4.71059 0.31955 protocols.relax.FastRelax: CMD: min -258.995 13.0381 4.80319 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -258.995 13.0381 4.80319 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -211.874 13.0381 4.80319 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2890 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -212.062 13.0381 4.80319 0.55 protocols.relax.FastRelax: CMD: min -242.482 13.2646 5.22891 0.55 protocols.relax.FastRelax: MRP: 4 -242.482 -243.535 13.4323 5.73374 protocols.relax.FastRelax: CMD: accept_to_best -242.482 13.2646 5.22891 0.55 protocols.relax.FastRelax: CMD: endrepeat -242.482 13.2646 5.22891 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_0.pdb protocols.relax.FastRelax: CMD: repeat 72097.8 12.3342 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 72097.8 12.3342 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7443.28 12.3342 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2571 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 62.9797 12.3342 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 127.877 12.3342 0 0.02805 protocols.relax.FastRelax: CMD: min -214.334 11.9243 3.92708 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -214.334 11.9243 3.92708 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -70.665 11.9243 3.92708 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2631 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -137.351 11.9243 3.92708 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -131.932 11.9243 3.92708 0.154 protocols.relax.FastRelax: CMD: min -212.462 12.1112 4.19217 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -212.462 12.1112 4.19217 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -172.327 12.1112 4.19217 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2538 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -176.202 12.1112 4.19217 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -172.89 12.1112 4.19217 0.31955 protocols.relax.FastRelax: CMD: min -186.273 12.2329 4.35316 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -186.273 12.2329 4.35316 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -143.009 12.2329 4.35316 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2470 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -143.946 12.2329 4.35316 0.55 protocols.relax.FastRelax: CMD: min -195.945 12.7583 4.31313 0.55 protocols.relax.FastRelax: MRP: 0 -195.945 -195.945 12.7583 4.31313 protocols.relax.FastRelax: CMD: accept_to_best -195.945 12.7583 4.31313 0.55 protocols.relax.FastRelax: CMD: endrepeat -195.945 12.7583 4.31313 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -195.945 12.7583 4.31313 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -255.88 12.7583 4.31313 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2952 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -271.707 12.7583 4.31313 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -268.378 12.7583 4.31313 0.02805 protocols.relax.FastRelax: CMD: min -324.175 12.2626 4.16774 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -324.175 12.2626 4.16774 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -198.327 12.2626 4.16774 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2935 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -216.843 12.2626 4.16774 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -210.27 12.2626 4.16774 0.154 protocols.relax.FastRelax: CMD: min -262.758 12.269 4.28303 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -262.758 12.269 4.28303 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -218.828 12.269 4.28303 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2604 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -219.463 12.269 4.28303 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -216.092 12.269 4.28303 0.31955 protocols.relax.FastRelax: CMD: min -228.218 12.3857 4.24471 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -228.218 12.3857 4.24471 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -185.251 12.3857 4.24471 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2545 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -185.567 12.3857 4.24471 0.55 protocols.relax.FastRelax: CMD: min -218.532 12.646 4.495 0.55 protocols.relax.FastRelax: MRP: 1 -218.532 -218.532 12.646 4.495 protocols.relax.FastRelax: CMD: accept_to_best -218.532 12.646 4.495 0.55 protocols.relax.FastRelax: CMD: endrepeat -218.532 12.646 4.495 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -218.532 12.646 4.495 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -280.876 12.646 4.495 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2783 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -291.61 12.646 4.495 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -289.164 12.646 4.495 0.02805 protocols.relax.FastRelax: CMD: min -340.015 12.4049 4.44868 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -340.015 12.4049 4.44868 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -216.5 12.4049 4.44868 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2912 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.963 12.4049 4.44868 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -226.438 12.4049 4.44868 0.154 protocols.relax.FastRelax: CMD: min -278.228 12.5089 4.46809 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -278.228 12.5089 4.46809 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -234.913 12.5089 4.46809 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2765 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -235.316 12.5089 4.46809 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -231.917 12.5089 4.46809 0.31955 protocols.relax.FastRelax: CMD: min -241.587 12.6097 4.45426 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -241.587 12.6097 4.45426 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -196.771 12.6097 4.45426 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2592 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.208 12.6097 4.45426 0.55 protocols.relax.FastRelax: CMD: min -217.692 12.6496 4.53556 0.55 protocols.relax.FastRelax: MRP: 2 -217.692 -218.532 12.646 4.495 protocols.relax.FastRelax: CMD: accept_to_best -217.692 12.6496 4.53556 0.55 protocols.relax.FastRelax: CMD: endrepeat -217.692 12.6496 4.53556 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -217.692 12.6496 4.53556 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.366 12.6496 4.53556 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2787 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -293.524 12.6496 4.53556 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -291.383 12.6496 4.53556 0.02805 protocols.relax.FastRelax: CMD: min -340.076 12.3027 4.33529 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -340.076 12.3027 4.33529 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -211.762 12.3027 4.33529 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2969 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.646 12.3027 4.33529 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -226.001 12.3027 4.33529 0.154 protocols.relax.FastRelax: CMD: min -276.132 12.4425 4.33862 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -276.132 12.4425 4.33862 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -231.57 12.4425 4.33862 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2738 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -233.361 12.4425 4.33862 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -229.846 12.4425 4.33862 0.31955 protocols.relax.FastRelax: CMD: min -240.613 12.5677 4.34099 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -240.613 12.5677 4.34099 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -196.847 12.5677 4.34099 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2503 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -197.408 12.5677 4.34099 0.55 protocols.relax.FastRelax: CMD: min -219.011 12.629 4.45797 0.55 protocols.relax.FastRelax: MRP: 3 -219.011 -219.011 12.629 4.45797 protocols.relax.FastRelax: CMD: accept_to_best -219.011 12.629 4.45797 0.55 protocols.relax.FastRelax: CMD: endrepeat -219.011 12.629 4.45797 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -219.011 12.629 4.45797 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -281.986 12.629 4.45797 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2710 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -293.441 12.629 4.45797 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -290.48 12.629 4.45797 0.02805 protocols.relax.FastRelax: CMD: min -340.641 12.3583 4.4158 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -340.641 12.3583 4.4158 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -215.936 12.3583 4.4158 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3027 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -236.772 12.3583 4.4158 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -230.295 12.3583 4.4158 0.154 protocols.relax.FastRelax: CMD: min -283.638 12.4965 4.52236 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -283.638 12.4965 4.52236 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -240.537 12.4965 4.52236 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2837 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.056 12.4965 4.52236 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -237.713 12.4965 4.52236 0.31955 protocols.relax.FastRelax: CMD: min -246.41 12.5867 4.4796 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -246.41 12.5867 4.4796 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -202.302 12.5867 4.4796 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2602 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -202.391 12.5867 4.4796 0.55 protocols.relax.FastRelax: CMD: min -218.619 12.6611 4.61271 0.55 protocols.relax.FastRelax: MRP: 4 -218.619 -219.011 12.629 4.45797 protocols.relax.FastRelax: CMD: accept_to_best -218.619 12.6611 4.61271 0.55 protocols.relax.FastRelax: CMD: endrepeat -218.619 12.6611 4.61271 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_10.pdb protocols.relax.FastRelax: CMD: repeat 75537.8 15.2163 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 75537.8 15.2163 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7943.63 15.2163 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 127.235 15.2163 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 159.304 15.2163 0 0.02805 protocols.relax.FastRelax: CMD: min -168.385 14.422 3.50981 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -168.385 14.422 3.50981 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 264.334 14.422 3.50981 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3019 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -143.339 14.422 3.50981 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -137.01 14.422 3.50981 0.154 protocols.relax.FastRelax: CMD: min -215.016 14.1687 4.52398 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -215.016 14.1687 4.52398 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -171.921 14.1687 4.52398 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2890 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -175.86 14.1687 4.52398 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -172.723 14.1687 4.52398 0.31955 protocols.relax.FastRelax: CMD: min -181.615 14.2839 4.50079 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -181.615 14.2839 4.50079 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -134.734 14.2839 4.50079 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2665 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -135.817 14.2839 4.50079 0.55 protocols.relax.FastRelax: CMD: min -206.896 13.4939 5.38303 0.55 protocols.relax.FastRelax: MRP: 0 -206.896 -206.896 13.4939 5.38303 protocols.relax.FastRelax: CMD: accept_to_best -206.896 13.4939 5.38303 0.55 protocols.relax.FastRelax: CMD: endrepeat -206.896 13.4939 5.38303 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -206.896 13.4939 5.38303 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.268 13.4939 5.38303 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2686 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -287.724 13.4939 5.38303 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -285.399 13.4939 5.38303 0.02805 protocols.relax.FastRelax: CMD: min -348.567 13.4624 5.15004 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -348.567 13.4624 5.15004 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -213.047 13.4624 5.15004 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3503 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -234.613 13.4624 5.15004 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -227.477 13.4624 5.15004 0.154 protocols.relax.FastRelax: CMD: min -279.688 13.4925 5.36929 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -279.688 13.4925 5.36929 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -226.43 13.4925 5.36929 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2917 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -227.433 13.4925 5.36929 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -223.415 13.4925 5.36929 0.31955 protocols.relax.FastRelax: CMD: min -246.373 13.465 5.4871 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -246.373 13.465 5.4871 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -202.483 13.465 5.4871 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2743 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.092 13.465 5.4871 0.55 protocols.relax.FastRelax: CMD: min -234.384 13.5337 5.58046 0.55 protocols.relax.FastRelax: MRP: 1 -234.384 -234.384 13.5337 5.58046 protocols.relax.FastRelax: CMD: accept_to_best -234.384 13.5337 5.58046 0.55 protocols.relax.FastRelax: CMD: endrepeat -234.384 13.5337 5.58046 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -234.384 13.5337 5.58046 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -301.639 13.5337 5.58046 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2900 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -308.02 13.5337 5.58046 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -305.353 13.5337 5.58046 0.02805 protocols.relax.FastRelax: CMD: min -368.587 13.5506 5.23909 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -368.587 13.5506 5.23909 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -224.403 13.5506 5.23909 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3318 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -246.463 13.5506 5.23909 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -238.676 13.5506 5.23909 0.154 protocols.relax.FastRelax: CMD: min -297.452 13.5078 5.36646 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -297.452 13.5078 5.36646 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -246.67 13.5078 5.36646 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3139 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -246.984 13.5078 5.36646 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -243.093 13.5078 5.36646 0.31955 protocols.relax.FastRelax: CMD: min -257.744 13.5418 5.44174 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -257.744 13.5418 5.44174 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -210.484 13.5418 5.44174 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2545 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -210.937 13.5418 5.44174 0.55 protocols.relax.FastRelax: CMD: min -239.568 13.5512 5.57112 0.55 protocols.relax.FastRelax: MRP: 2 -239.568 -239.568 13.5512 5.57112 protocols.relax.FastRelax: CMD: accept_to_best -239.568 13.5512 5.57112 0.55 protocols.relax.FastRelax: CMD: endrepeat -239.568 13.5512 5.57112 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -239.568 13.5512 5.57112 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -305.511 13.5512 5.57112 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2823 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -313.014 13.5512 5.57112 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -310.01 13.5512 5.57112 0.02805 protocols.relax.FastRelax: CMD: min -358.537 13.538 5.31935 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -358.537 13.538 5.31935 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -233.388 13.538 5.31935 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3437 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -262.918 13.538 5.31935 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -257.214 13.538 5.31935 0.154 protocols.relax.FastRelax: CMD: min -297.671 13.5957 5.36498 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -297.671 13.5957 5.36498 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -253.339 13.5957 5.36498 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3069 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -254.204 13.5957 5.36498 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -250.732 13.5957 5.36498 0.31955 protocols.relax.FastRelax: CMD: min -263.471 13.5778 5.48904 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -263.471 13.5778 5.48904 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -220.302 13.5778 5.48904 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2669 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.02 13.5778 5.48904 0.55 protocols.relax.FastRelax: CMD: min -240.341 13.3216 5.70585 0.55 protocols.relax.FastRelax: MRP: 3 -240.341 -240.341 13.3216 5.70585 protocols.relax.FastRelax: CMD: accept_to_best -240.341 13.3216 5.70585 0.55 protocols.relax.FastRelax: CMD: endrepeat -240.341 13.3216 5.70585 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -240.341 13.3216 5.70585 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -305.146 13.3216 5.70585 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2888 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -311.282 13.3216 5.70585 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -307.509 13.3216 5.70585 0.02805 protocols.relax.FastRelax: CMD: min -362.978 13.3395 5.45322 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -362.978 13.3395 5.45322 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -227.288 13.3395 5.45322 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3296 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -251.848 13.3395 5.45322 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -245.12 13.3395 5.45322 0.154 protocols.relax.FastRelax: CMD: min -300.612 13.3043 5.59585 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -300.612 13.3043 5.59585 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -254.874 13.3043 5.59585 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2879 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -254.983 13.3043 5.59585 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -251.405 13.3043 5.59585 0.31955 protocols.relax.FastRelax: CMD: min -263.213 13.3041 5.66567 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -263.213 13.3041 5.66567 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -217.965 13.3041 5.66567 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2667 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -218.245 13.3041 5.66567 0.55 protocols.relax.FastRelax: CMD: min -241.842 13.2748 5.84773 0.55 protocols.relax.FastRelax: MRP: 4 -241.842 -241.842 13.2748 5.84773 protocols.relax.FastRelax: CMD: accept_to_best -241.842 13.2748 5.84773 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.842 13.2748 5.84773 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_21.pdb protocols.relax.FastRelax: CMD: repeat 70133.9 11.731 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70133.9 11.731 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 6775.41 11.731 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2484 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -166.13 11.731 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -151.827 11.731 0 0.02805 protocols.relax.FastRelax: CMD: min -289.827 12.0928 1.99475 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -289.827 12.0928 1.99475 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -147.771 12.0928 1.99475 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2806 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -187.11 12.0928 1.99475 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -180.778 12.0928 1.99475 0.154 protocols.relax.FastRelax: CMD: min -276.697 12.1982 3.70629 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -276.697 12.1982 3.70629 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -235.696 12.1982 3.70629 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2439 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -237.058 12.1982 3.70629 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -233.866 12.1982 3.70629 0.31955 protocols.relax.FastRelax: CMD: min -245.414 12.2904 3.76546 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -245.414 12.2904 3.76546 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -205.191 12.2904 3.76546 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2403 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -205.371 12.2904 3.76546 0.55 protocols.relax.FastRelax: CMD: min -233.822 12.2157 3.79885 0.55 protocols.relax.FastRelax: MRP: 0 -233.822 -233.822 12.2157 3.79885 protocols.relax.FastRelax: CMD: accept_to_best -233.822 12.2157 3.79885 0.55 protocols.relax.FastRelax: CMD: endrepeat -233.822 12.2157 3.79885 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -233.822 12.2157 3.79885 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -294.904 12.2157 3.79885 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2708 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -304.597 12.2157 3.79885 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -300.744 12.2157 3.79885 0.02805 protocols.relax.FastRelax: CMD: min -366.625 11.936 3.80499 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -366.625 11.936 3.80499 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -212.43 11.936 3.80499 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2783 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -229.546 11.936 3.80499 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -221.49 11.936 3.80499 0.154 protocols.relax.FastRelax: CMD: min -303.144 12.1031 3.70926 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -303.144 12.1031 3.70926 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -261.039 12.1031 3.70926 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2448 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -261.352 12.1031 3.70926 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -258.058 12.1031 3.70926 0.31955 protocols.relax.FastRelax: CMD: min -267.529 12.1419 3.74898 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -267.529 12.1419 3.74898 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -225.035 12.1419 3.74898 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2279 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.193 12.1419 3.74898 0.55 protocols.relax.FastRelax: CMD: min -241.911 12.1136 4.03431 0.55 protocols.relax.FastRelax: MRP: 1 -241.911 -241.911 12.1136 4.03431 protocols.relax.FastRelax: CMD: accept_to_best -241.911 12.1136 4.03431 0.55 protocols.relax.FastRelax: CMD: endrepeat -241.911 12.1136 4.03431 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -241.911 12.1136 4.03431 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -305.188 12.1136 4.03431 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2597 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -315.989 12.1136 4.03431 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -312.795 12.1136 4.03431 0.02805 protocols.relax.FastRelax: CMD: min -360.26 11.8795 4.03058 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -360.26 11.8795 4.03058 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -225.036 11.8795 4.03058 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2861 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -244.139 11.8795 4.03058 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -236.53 11.8795 4.03058 0.154 protocols.relax.FastRelax: CMD: min -302.769 12.0294 3.96373 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -302.769 12.0294 3.96373 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -258.672 12.0294 3.96373 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2518 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -258.704 12.0294 3.96373 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -255.225 12.0294 3.96373 0.31955 protocols.relax.FastRelax: CMD: min -266.185 12.0763 4.06933 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -266.185 12.0763 4.06933 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -222.591 12.0763 4.06933 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2366 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -223.81 12.0763 4.06933 0.55 protocols.relax.FastRelax: CMD: min -243.16 12.1026 4.2594 0.55 protocols.relax.FastRelax: MRP: 2 -243.16 -243.16 12.1026 4.2594 protocols.relax.FastRelax: CMD: accept_to_best -243.16 12.1026 4.2594 0.55 protocols.relax.FastRelax: CMD: endrepeat -243.16 12.1026 4.2594 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -243.16 12.1026 4.2594 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -308.42 12.1026 4.2594 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2534 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -314.638 12.1026 4.2594 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -312.589 12.1026 4.2594 0.02805 protocols.relax.FastRelax: CMD: min -370.495 11.9698 4.24 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -370.495 11.9698 4.24 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -229.315 11.9698 4.24 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2665 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -240.209 11.9698 4.24 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -231.64 11.9698 4.24 0.154 protocols.relax.FastRelax: CMD: min -306.631 12.0723 4.12831 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -306.631 12.0723 4.12831 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -260.187 12.0723 4.12831 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2409 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -260.708 12.0723 4.12831 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -257.125 12.0723 4.12831 0.31955 protocols.relax.FastRelax: CMD: min -267.882 12.0963 4.18413 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -267.882 12.0963 4.18413 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -221.051 12.0963 4.18413 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2223 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -221.9 12.0963 4.18413 0.55 protocols.relax.FastRelax: CMD: min -245.4 12.0853 4.20971 0.55 protocols.relax.FastRelax: MRP: 3 -245.4 -245.4 12.0853 4.20971 protocols.relax.FastRelax: CMD: accept_to_best -245.4 12.0853 4.20971 0.55 protocols.relax.FastRelax: CMD: endrepeat -245.4 12.0853 4.20971 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -245.4 12.0853 4.20971 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -311.814 12.0853 4.20971 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2544 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -317.121 12.0853 4.20971 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -315.775 12.0853 4.20971 0.02805 protocols.relax.FastRelax: CMD: min -361.239 11.9141 4.00235 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -361.239 11.9141 4.00235 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -253.709 11.9141 4.00235 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2744 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -263.351 11.9141 4.00235 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -256.644 11.9141 4.00235 0.154 protocols.relax.FastRelax: CMD: min -308.428 12.0195 4.14593 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -308.428 12.0195 4.14593 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -264.326 12.0195 4.14593 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2523 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -264.54 12.0195 4.14593 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -261.124 12.0195 4.14593 0.31955 protocols.relax.FastRelax: CMD: min -271.074 12.0547 4.19073 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -271.074 12.0547 4.19073 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -225.487 12.0547 4.19073 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2486 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -225.808 12.0547 4.19073 0.55 protocols.relax.FastRelax: CMD: min -247.045 12.0739 4.24477 0.55 protocols.relax.FastRelax: MRP: 4 -247.045 -247.045 12.0739 4.24477 protocols.relax.FastRelax: CMD: accept_to_best -247.045 12.0739 4.24477 0.55 protocols.relax.FastRelax: CMD: endrepeat -247.045 12.0739 4.24477 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_9.pdb protocols.relax.FastRelax: CMD: repeat 69213.7 14.1948 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 69213.7 14.1948 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7509.39 14.1948 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3344 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -89.346 14.1948 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -64.8343 14.1948 0 0.02805 protocols.relax.FastRelax: CMD: min -284.089 14.0022 1.84976 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -284.089 14.0022 1.84976 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -116.771 14.0022 1.84976 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3184 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -146.259 14.0022 1.84976 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -137.395 14.0022 1.84976 0.154 protocols.relax.FastRelax: CMD: min -226.652 13.9744 2.44667 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -226.652 13.9744 2.44667 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -175.091 13.9744 2.44667 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2785 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -176.15 13.9744 2.44667 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -172.147 13.9744 2.44667 0.31955 protocols.relax.FastRelax: CMD: min -184.016 14.002 2.47684 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -184.016 14.002 2.47684 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -131.608 14.002 2.47684 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2629 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -133.018 14.002 2.47684 0.55 protocols.relax.FastRelax: CMD: min -193.438 14.056 2.5862 0.55 protocols.relax.FastRelax: MRP: 0 -193.438 -193.438 14.056 2.5862 protocols.relax.FastRelax: CMD: accept_to_best -193.438 14.056 2.5862 0.55 protocols.relax.FastRelax: CMD: endrepeat -193.438 14.056 2.5862 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -193.438 14.056 2.5862 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -259.826 14.056 2.5862 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2856 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -272.454 14.056 2.5862 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -269.151 14.056 2.5862 0.02805 protocols.relax.FastRelax: CMD: min -303.24 13.9052 2.51705 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -303.24 13.9052 2.51705 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -159.335 13.9052 2.51705 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3019 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -217.54 13.9052 2.51705 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -211.892 13.9052 2.51705 0.154 protocols.relax.FastRelax: CMD: min -258.62 13.9561 2.52031 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -258.62 13.9561 2.52031 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -215.892 13.9561 2.52031 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2539 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -214.007 13.9561 2.52031 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -210.669 13.9561 2.52031 0.31955 protocols.relax.FastRelax: CMD: min -220.414 13.9863 2.51582 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -220.414 13.9863 2.51582 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -176.304 13.9863 2.51582 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2582 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -178.022 13.9863 2.51582 0.55 protocols.relax.FastRelax: CMD: min -205.083 14.0045 2.65947 0.55 protocols.relax.FastRelax: MRP: 1 -205.083 -205.083 14.0045 2.65947 protocols.relax.FastRelax: CMD: accept_to_best -205.083 14.0045 2.65947 0.55 protocols.relax.FastRelax: CMD: endrepeat -205.083 14.0045 2.65947 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -205.083 14.0045 2.65947 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -271.057 14.0045 2.65947 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2808 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -285.914 14.0045 2.65947 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -283.063 14.0045 2.65947 0.02805 protocols.relax.FastRelax: CMD: min -324.259 13.9037 2.54722 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -324.259 13.9037 2.54722 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -217.526 13.9037 2.54722 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2996 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -245.72 13.9037 2.54722 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -240.763 13.9037 2.54722 0.154 protocols.relax.FastRelax: CMD: min -273.176 13.9533 2.54748 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -273.176 13.9533 2.54748 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -229.296 13.9533 2.54748 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2855 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -230.898 13.9533 2.54748 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -227.514 13.9533 2.54748 0.31955 protocols.relax.FastRelax: CMD: min -234.865 13.9706 2.52579 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -234.865 13.9706 2.52579 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -184.692 13.9706 2.52579 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2763 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -184.625 13.9706 2.52579 0.55 protocols.relax.FastRelax: CMD: min -221.725 14.0646 2.50309 0.55 protocols.relax.FastRelax: MRP: 2 -221.725 -221.725 14.0646 2.50309 protocols.relax.FastRelax: CMD: accept_to_best -221.725 14.0646 2.50309 0.55 protocols.relax.FastRelax: CMD: endrepeat -221.725 14.0646 2.50309 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -221.725 14.0646 2.50309 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -287.059 14.0646 2.50309 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2769 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -290.827 14.0646 2.50309 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -284.724 14.0646 2.50309 0.02805 protocols.relax.FastRelax: CMD: min -347.058 13.8841 2.48271 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -347.058 13.8841 2.48271 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -220.48 13.8841 2.48271 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3064 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -241.604 13.8841 2.48271 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -235.704 13.8841 2.48271 0.154 protocols.relax.FastRelax: CMD: min -276.646 13.8631 2.40295 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -276.646 13.8631 2.40295 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -231.469 13.8631 2.40295 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2934 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -232.523 13.8631 2.40295 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -228.831 13.8631 2.40295 0.31955 protocols.relax.FastRelax: CMD: min -244.505 13.9313 2.47755 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -244.505 13.9313 2.47755 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -200.783 13.9313 2.47755 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2663 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -203.888 13.9313 2.47755 0.55 protocols.relax.FastRelax: CMD: min -229.33 13.8676 2.62546 0.55 protocols.relax.FastRelax: MRP: 3 -229.33 -229.33 13.8676 2.62546 protocols.relax.FastRelax: CMD: accept_to_best -229.33 13.8676 2.62546 0.55 protocols.relax.FastRelax: CMD: endrepeat -229.33 13.8676 2.62546 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -229.33 13.8676 2.62546 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -294.338 13.8676 2.62546 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2871 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -303.871 13.8676 2.62546 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -302.251 13.8676 2.62546 0.02805 protocols.relax.FastRelax: CMD: min -345.961 13.8129 2.66155 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -345.961 13.8129 2.66155 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -214.96 13.8129 2.66155 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2842 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -246.885 13.8129 2.66155 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -241.012 13.8129 2.66155 0.154 protocols.relax.FastRelax: CMD: min -282.814 13.8144 2.58849 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -282.814 13.8144 2.58849 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -238.837 13.8144 2.58849 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2793 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.928 13.8144 2.58849 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -236.507 13.8144 2.58849 0.31955 protocols.relax.FastRelax: CMD: min -252.977 13.8808 2.47044 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -252.977 13.8808 2.47044 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -211.725 13.8808 2.47044 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2764 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -215.432 13.8808 2.47044 0.55 protocols.relax.FastRelax: CMD: min -232.423 13.8964 2.46836 0.55 protocols.relax.FastRelax: MRP: 4 -232.423 -232.423 13.8964 2.46836 protocols.relax.FastRelax: CMD: accept_to_best -232.423 13.8964 2.46836 0.55 protocols.relax.FastRelax: CMD: endrepeat -232.423 13.8964 2.46836 0.55 protocols::checkpoint: Deleting checkpoints of FastRelax Working on decoy: outputs/1BL0/decoy_49.pdb protocols.relax.FastRelax: CMD: repeat 70371.6 11.0995 0 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight 70371.6 11.0995 0 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep 7041.85 11.0995 0 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2319 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 154.091 11.0995 0 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep 185.275 11.0995 0 0.02805 protocols.relax.FastRelax: CMD: min -92.5369 10.6742 6.70559 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -92.5369 10.6742 6.70559 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep 641.82 10.6742 6.70559 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2882 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack 34.2843 10.6742 6.70559 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep 49.5003 10.6742 6.70559 0.154 protocols.relax.FastRelax: CMD: min -190.134 10.5352 5.16043 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -190.134 10.5352 5.16043 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -147.418 10.5352 5.16043 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2485 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -153.019 10.5352 5.16043 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -149.819 10.5352 5.16043 0.31955 protocols.relax.FastRelax: CMD: min -158.986 10.5888 5.08494 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -158.986 10.5888 5.08494 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -113.748 10.5888 5.08494 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2395 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -114.346 10.5888 5.08494 0.55 protocols.relax.FastRelax: CMD: min -165.133 10.6209 5.98768 0.55 protocols.relax.FastRelax: MRP: 0 -165.133 -165.133 10.6209 5.98768 protocols.relax.FastRelax: CMD: accept_to_best -165.133 10.6209 5.98768 0.55 protocols.relax.FastRelax: CMD: endrepeat -165.133 10.6209 5.98768 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -165.133 10.6209 5.98768 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -224.302 10.6209 5.98768 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2592 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -239.644 10.6209 5.98768 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -236.157 10.6209 5.98768 0.02805 protocols.relax.FastRelax: CMD: min -291.716 10.6399 6.90393 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -291.716 10.6399 6.90393 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -163.35 10.6399 6.90393 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2727 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -185.609 10.6399 6.90393 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -178.954 10.6399 6.90393 0.154 protocols.relax.FastRelax: CMD: min -226.869 10.6124 7.25064 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -226.869 10.6124 7.25064 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -178.753 10.6124 7.25064 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2677 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -181.097 10.6124 7.25064 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -177.361 10.6124 7.25064 0.31955 protocols.relax.FastRelax: CMD: min -203.485 10.7183 7.67471 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -203.485 10.7183 7.67471 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -162.639 10.7183 7.67471 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2705 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -162.918 10.7183 7.67471 0.55 protocols.relax.FastRelax: CMD: min -186.662 10.5741 7.76333 0.55 protocols.relax.FastRelax: MRP: 1 -186.662 -186.662 10.5741 7.76333 protocols.relax.FastRelax: CMD: accept_to_best -186.662 10.5741 7.76333 0.55 protocols.relax.FastRelax: CMD: endrepeat -186.662 10.5741 7.76333 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -186.662 10.5741 7.76333 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -248.82 10.5741 7.76333 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3017 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -256.599 10.5741 7.76333 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -254.737 10.5741 7.76333 0.02805 protocols.relax.FastRelax: CMD: min -316.64 10.7485 8.42057 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -316.64 10.7485 8.42057 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -177.881 10.7485 8.42057 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3206 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -195.385 10.7485 8.42057 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -187.34 10.7485 8.42057 0.154 protocols.relax.FastRelax: CMD: min -254.679 10.7717 8.3712 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -254.679 10.7717 8.3712 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -208.719 10.7717 8.3712 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2828 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -209.51 10.7717 8.3712 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -205.906 10.7717 8.3712 0.31955 protocols.relax.FastRelax: CMD: min -217.141 10.7945 8.28042 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -217.141 10.7945 8.28042 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -171.661 10.7945 8.28042 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2735 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -171.948 10.7945 8.28042 0.55 protocols.relax.FastRelax: CMD: min -200.226 10.8829 8.30236 0.55 protocols.relax.FastRelax: MRP: 2 -200.226 -200.226 10.8829 8.30236 protocols.relax.FastRelax: CMD: accept_to_best -200.226 10.8829 8.30236 0.55 protocols.relax.FastRelax: CMD: endrepeat -200.226 10.8829 8.30236 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -200.226 10.8829 8.30236 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -263.316 10.8829 8.30236 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3048 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -269.497 10.8829 8.30236 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -267.178 10.8829 8.30236 0.02805 protocols.relax.FastRelax: CMD: min -323.8 11.0752 9.18777 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -323.8 11.0752 9.18777 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -176.02 11.0752 9.18777 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3321 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -195.546 11.0752 9.18777 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -187.945 11.0752 9.18777 0.154 protocols.relax.FastRelax: CMD: min -257.53 10.9362 8.77854 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -257.53 10.9362 8.77854 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -214.039 10.9362 8.77854 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2980 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -215.271 10.9362 8.77854 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -211.855 10.9362 8.77854 0.31955 protocols.relax.FastRelax: CMD: min -219.779 10.8982 8.64446 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -219.779 10.8982 8.64446 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -174.003 10.8982 8.64446 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2872 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -175.015 10.8982 8.64446 0.55 protocols.relax.FastRelax: CMD: min -202.095 10.8766 8.35997 0.55 protocols.relax.FastRelax: MRP: 3 -202.095 -202.095 10.8766 8.35997 protocols.relax.FastRelax: CMD: accept_to_best -202.095 10.8766 8.35997 0.55 protocols.relax.FastRelax: CMD: endrepeat -202.095 10.8766 8.35997 0.55 protocols.relax.FastRelax: CMD: coord_cst_weight -202.095 10.8766 8.35997 0.55 protocols.relax.FastRelax: CMD: scale:fa_rep -264.595 10.8766 8.35997 0.022 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3041 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -275.109 10.8766 8.35997 0.022 protocols.relax.FastRelax: CMD: scale:fa_rep -273.001 10.8766 8.35997 0.02805 protocols.relax.FastRelax: CMD: min -333.709 11.0615 9.14065 0.02805 protocols.relax.FastRelax: CMD: coord_cst_weight -333.709 11.0615 9.14065 0.02805 protocols.relax.FastRelax: CMD: scale:fa_rep -184.626 11.0615 9.14065 0.14575 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3166 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -202.477 11.0615 9.14065 0.14575 protocols.relax.FastRelax: CMD: scale:fa_rep -194.183 11.0615 9.14065 0.154 protocols.relax.FastRelax: CMD: min -259.739 10.9471 8.84837 0.154 protocols.relax.FastRelax: CMD: coord_cst_weight -259.739 10.9471 8.84837 0.154 protocols.relax.FastRelax: CMD: scale:fa_rep -211.667 10.9471 8.84837 0.30745 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 3049 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -212.172 10.9471 8.84837 0.30745 protocols.relax.FastRelax: CMD: scale:fa_rep -208.423 10.9471 8.84837 0.31955 protocols.relax.FastRelax: CMD: min -228.378 10.8946 8.65496 0.31955 protocols.relax.FastRelax: CMD: coord_cst_weight -228.378 10.8946 8.65496 0.31955 protocols.relax.FastRelax: CMD: scale:fa_rep -188.841 10.8946 8.65496 0.55 core.pack.task: Packer task: initialize from command line() core.pack.pack_rotamers: built 2800 rotamers at 116 positions. core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph protocols.relax.FastRelax: CMD: repack -188.871 10.8946 8.65496 0.55 protocols.relax.FastRelax: CMD: min -206.031 10.9036 8.37059 0.55 protocols.relax.FastRelax: MRP: 4 -206.031 -206.031 10.9036 8.37059 protocols.relax.FastRelax: CMD: accept_to_best -206.031 10.9036 8.37059 0.55 protocols.relax.FastRelax: CMD: endrepeat -206.031 10.9036 8.37059 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 [60]:
decoy_poses = [prs.pose_from_pdb(f) for f in glob.glob(job_output + '*.pdb')]
core.import_pose.import_pose: File 'outputs/1BL0/decoy_21.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_6.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_8.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_11.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_35.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_15.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_47.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_16.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_14.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_38.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_13.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_1.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_23.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_0.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_18.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_12.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_42.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_49.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_33.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_19.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_24.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_43.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_36.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_32.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_17.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_31.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_40.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_5.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_46.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_48.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_41.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_44.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_20.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_30.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_28.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_9.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_10.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_7.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_29.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_37.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_25.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_34.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_4.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_39.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_45.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_27.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_22.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_2.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_3.pdb' automatically determined to be of type PDB core.import_pose.import_pose: File 'outputs/1BL0/decoy_26.pdb' automatically determined to be of type PDB
In [61]:
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 [62]:
rmsds = align_and_get_rmsds(native_pose, decoy_poses)
protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.1817272) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3727229) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.0528280) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.0121985) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.0924280) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.1870596) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.7425091) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 17.6072996) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.1191941) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.0116186) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.9746784) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.2668124) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3229770) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.9622330) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.3732177) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.1914401) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.8910385) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.7465384) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.4047290) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.7782285) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.4604359) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.1894282) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.9106579) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.9691243) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 18.9223432) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.3418904) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.1797552) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.1432203) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.1035304) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 16.0942631) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.4644202) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.8190722) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.0154232) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.5763525) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.3225765) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 13.8516356) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.3100098) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.5367920) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.6943834) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.1989107) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.8395225) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 15.2116599) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 9.8354317) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.5408695) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.2123077) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.2885913) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 14.5526112) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 10.4993922) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 11.2904619) protocols.stepwise.modeler.align.StepWisePoseAligner: RMSD 0.000 (0 atoms in ), superimposed on 349 atoms in 1-116 (RMSD 12.2499839)
In [63]:
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 [64]:
rmsd_df = pd.DataFrame(rmsd_data)
In [65]:
rmsd_df.sort_values('rmsd')
Out[65]:
| structure | rmsd | energy_score | |
|---|---|---|---|
| 41 | outputs/1BL0/decoy_4.pdb | 9.835432 | -207.560751 |
| 10 | outputs/1BL0/decoy_1.pdb | 10.266812 | -231.459089 |
| 46 | outputs/1BL0/decoy_2.pdb | 10.499392 | -241.842448 |
| 15 | outputs/1BL0/decoy_42.pdb | 10.891038 | -216.628701 |
| 8 | outputs/1BL0/decoy_38.pdb | 11.011619 | -250.503913 |
| 26 | outputs/1BL0/decoy_5.pdb | 11.143220 | -246.933352 |
| 38 | outputs/1BL0/decoy_37.pdb | 11.198911 | -221.385622 |
| 44 | outputs/1BL0/decoy_27.pdb | 11.288591 | -243.535400 |
| 47 | outputs/1BL0/decoy_3.pdb | 11.290462 | -247.045430 |
| 37 | outputs/1BL0/decoy_29.pdb | 11.694383 | -216.733134 |
| 16 | outputs/1BL0/decoy_49.pdb | 11.746538 | -185.518355 |
| 39 | outputs/1BL0/decoy_25.pdb | 11.839523 | -200.527873 |
| 2 | outputs/1BL0/decoy_11.pdb | 12.012198 | -211.612601 |
| 20 | outputs/1BL0/decoy_43.pdb | 12.189428 | -242.122252 |
| 14 | outputs/1BL0/decoy_12.pdb | 12.191440 | -222.647745 |
| 43 | outputs/1BL0/decoy_45.pdb | 12.212308 | -217.693103 |
| 48 | outputs/1BL0/decoy_26.pdb | 12.249984 | -232.423030 |
| 35 | outputs/1BL0/decoy_10.pdb | 12.310010 | -231.315918 |
| 33 | outputs/1BL0/decoy_28.pdb | 12.322576 | -227.127214 |
| 36 | outputs/1BL0/decoy_7.pdb | 12.536792 | -202.791243 |
| 32 | outputs/1BL0/decoy_30.pdb | 12.576352 | -186.673915 |
| 12 | outputs/1BL0/decoy_0.pdb | 12.962233 | -215.545302 |
| 9 | outputs/1BL0/decoy_13.pdb | 12.974678 | -179.226728 |
| 7 | outputs/1BL0/decoy_14.pdb | 13.119194 | -252.169946 |
| 25 | outputs/1BL0/decoy_40.pdb | 13.179755 | -239.808999 |
| 13 | outputs/1BL0/decoy_18.pdb | 13.373218 | -228.857704 |
| 19 | outputs/1BL0/decoy_24.pdb | 13.460436 | -225.211228 |
| 29 | outputs/1BL0/decoy_41.pdb | 13.464420 | -226.952555 |
| 5 | outputs/1BL0/decoy_47.pdb | 13.742509 | -190.689548 |
| 18 | outputs/1BL0/decoy_19.pdb | 13.778228 | -235.403946 |
| 30 | outputs/1BL0/decoy_44.pdb | 13.819072 | -226.717974 |
| 34 | outputs/1BL0/decoy_9.pdb | 13.851636 | -206.971872 |
| 21 | outputs/1BL0/decoy_36.pdb | 13.910658 | -214.506279 |
| 1 | outputs/1BL0/decoy_8.pdb | 14.052828 | -248.586567 |
| 11 | outputs/1BL0/decoy_23.pdb | 14.322977 | -241.586080 |
| 24 | outputs/1BL0/decoy_31.pdb | 14.341890 | -155.964446 |
| 0 | outputs/1BL0/decoy_6.pdb | 14.372723 | -188.432897 |
| 17 | outputs/1BL0/decoy_33.pdb | 14.404729 | -219.681762 |
| 42 | outputs/1BL0/decoy_39.pdb | 14.540869 | -196.566352 |
| 45 | outputs/1BL0/decoy_22.pdb | 14.552611 | -219.010827 |
| 31 | outputs/1BL0/decoy_20.pdb | 15.015423 | -246.766044 |
| 4 | outputs/1BL0/decoy_15.pdb | 15.187060 | -227.084006 |
| 40 | outputs/1BL0/decoy_34.pdb | 15.211660 | -213.926432 |
| 22 | outputs/1BL0/decoy_32.pdb | 15.969124 | -225.295705 |
| 3 | outputs/1BL0/decoy_35.pdb | 16.092428 | -249.787509 |
| 28 | outputs/1BL0/decoy_48.pdb | 16.094263 | -218.910680 |
| 27 | outputs/1BL0/decoy_46.pdb | 16.103530 | -225.496712 |
| 6 | outputs/1BL0/decoy_16.pdb | 17.607300 | -230.913099 |
| 23 | outputs/1BL0/decoy_17.pdb | 18.922343 | -239.108265 |
Q: Plot the energy_score VS rmsd. Are the lowest energy structures the closest to the native one?¶
In [66]:
!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 [67]:
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[67]:
array([[ 1. , -0.01169909],
[-0.01169909, 1. ]])
In [68]:
decoy_33 = prs.pose_from_pdb('outputs/1BL0/decoy_33.pdb')
view = ngl.show_rosetta(decoy_33)
view
core.import_pose.import_pose: File 'outputs/1BL0/decoy_20.pdb' automatically determined to be of type PDB