yank - Revision 1182: /proof-of-concept/kinases/simulations/Src-bosutinib/setup/antechamber/oechem

• ..
• ANTECHAMBER_AC.AC
• ANTECHAMBER_AC.AC0
• ANTECHAMBER_BOND_TYPE.AC
• ANTECHAMBER_BOND_TYPE.AC0
• ATOMTYPE.INF
• README
• bosutinib-2-modified.pdb
• bosutinib-2-oemol.mol2
• bosutinib-2.pdb
• bosutinib.gaff.frcmod
• bosutinib.gaff.mol2
• normalize-with-oechem.py
• run.sh