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Updated
Dec 18, 2024 - Python
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opls-aa
Here are 4 public repositories matching this topic...
molecular-dynamics molecular-dynamics-simulation monte-carlo-simulation opls alchemical-free-energy-calculations opls-aa cm1a
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 openmm molecular-simulation thermodynamics lammps charmm force-field namd gromacs tinker opls-aa
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Aug 2, 2018
A repository for tutorials and FAQ's about LigParGen
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Aug 12, 2018 - Python
Command files needed to install LigParGen locally
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Updated
Nov 28, 2017
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