Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.
Home Page:http://traken.chem.yale.edu/ligpargen/
Geek Repo:Geek Repo
Github PK Tool:Github PK Tool