yank - Revision 1182: /proof-of-concept/kinases/simulations/Src-bosutinib/setup/leap/implicit

• ..
• complex.crd
• complex.pdb
• complex.prmtop
• drug.gaff.frcmod
• drug.gaff.mol2
• leap.log
• ligand.crd
• ligand.pdb
• ligand.prmtop
• receptor.crd
• receptor.pdb
• receptor.prmtop
• setup.leap.in
• setup.sh