namd topic
colvars
Collective variables library for molecular simulation and analysis programs
MDBenchmark
Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
pytim
a python package for the interfacial analysis of molecular simulations
Longbow
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
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...