DeepLearningExamples/DGLPyTorch/DrugDiscovery/RoseTTAFold/folding/data/relax_round1.txt
2021-10-15 15:46:41 +02:00

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switch:torsion
repeat 2
ramp_repack_min 0.02 0.01 1.0 100
ramp_repack_min 0.250 0.01 0.5 100
ramp_repack_min 0.550 0.01 0.1 100
ramp_repack_min 1 0.00001 0.1 100
accept_to_best
endrepeat
switch:cartesian
repeat 1
ramp_repack_min 0.02 0.01 1.0 50
ramp_repack_min 0.250 0.01 0.5 50
ramp_repack_min 0.550 0.01 0.1 100
ramp_repack_min 1 0.00001 0.1 200
accept_to_best
endrepeat