opls-aa topic

List opls-aa repositories

OPLSAA-DB

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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

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A repository for tutorials and FAQ's about LigParGen

LigParGen-CommandFiles

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Command files needed to install LigParGen locally