yank - Revision 1182: /proof-of-concept/custom-softcore-examples/p-xylene

• ..
• complex-min.sander.out
• complex-minimized.crd
• complex-testenergy.sander.out
• complex.crd
• complex.pdb
• complex.prmtop
• ligand-min.sander.out
• ligand-minimized.crd
• ligand-testenergy.sander.out
• ligand.crd
• ligand.frcmod
• ligand.mol2
• ligand.pdb
• ligand.prmtop
• receptor-min.sander.out
• receptor-minimized.crd
• receptor-testenergy.sander.out
• receptor.crd
• receptor.pdb
• receptor.prmtop
• softcore-energy-test-custom.py