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List namd repositories

colvars

192
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Collective variables library for molecular simulation and analysis programs

MDBenchmark

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Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

pytim

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a python package for the interfacial analysis of molecular simulations

Longbow

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Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

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...