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

• ..
• README
• cleanup.sh
• complex.crd
• complex.pdb
• complex.prmtop
• leap.log
• ligand.crd
• ligand.pdb
• ligand.prmtop
• md.pdb
• md.zip
• minimized.pdb
• output
• receptor.crd
• receptor.pdb
• receptor.prmtop
• run-openmm-dynamics.py
• sander/
• setup.leap.in
• setup.sh