opls-aa

There are 0 repository under opls-aa topic.

Isra3l / ligpargen
molecular-dynamics molecular-dynamics-simulation opls opls-aa cm1a alchemical-free-energy-calculations monte-carlo-simulation
Language:Python 50
leelasd / OPLSAA-DB
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.
molecular-dynamics molecular-simulation force-field opls-aa lammps gromacs namd charmm tinker openmm thermodynamics
31
leelasd / ligpargen
A repository for tutorials and FAQ's about LigParGen
ligpargen-server opls-aa molecular-dynamics-simulation force-field
Language:Python 20
leelasd / LigParGen-CommandFiles
Command files needed to install LigParGen locally
ligpargen-server boss molecular-dynamics-simulation force-field opls-aa
13