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

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cen_hb 5.0
rama 1.0
omega 0.5
vdw 1.0
atom_pair_constraint 5.0
dihedral_constraint 4.0
angle_constraint 4.0