opls-aa topic
List
opls-aa repositories
ligpargen
48
Stars
19
Forks
Watchers
OPLSAA-DB
31
Stars
7
Forks
Watchers
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...
ligpargen
20
Stars
17
Forks
Watchers
A repository for tutorials and FAQ's about LigParGen