├── OPLS-AAM-Parameterization.pdf ├── README.md ├── input.pdb ├── log ├── opls-aam.xml ├── par_opls_aam.inp.txt ├── processCharmmForceField.py ├── simulatePdb.py ├── tip3p.xml └── top_opls_aam.inp.txt /OPLS-AAM-Parameterization.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/OPLS-AAM-Parameterization.pdf -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/README.md -------------------------------------------------------------------------------- /input.pdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/input.pdb -------------------------------------------------------------------------------- /log: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /opls-aam.xml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/opls-aam.xml -------------------------------------------------------------------------------- /par_opls_aam.inp.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/par_opls_aam.inp.txt -------------------------------------------------------------------------------- /processCharmmForceField.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/processCharmmForceField.py -------------------------------------------------------------------------------- /simulatePdb.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/simulatePdb.py -------------------------------------------------------------------------------- /tip3p.xml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/tip3p.xml -------------------------------------------------------------------------------- /top_opls_aam.inp.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/leelasd/OPLS-AAM/HEAD/top_opls_aam.inp.txt --------------------------------------------------------------------------------