gromacs_mddb
GROMACS is a versatile package to perform molecular dynamics.
GROMACS is a versatile package to perform molecular dynamics.
To install this package, run one of the following:
Development version of GROMACS in colaboration to MDDB to add the possibility to export tpr to json.
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
Summary
GROMACS is a versatile package to perform molecular dynamics.
Last Updated
Oct 16, 2025 at 10:11
License
LGPL-2.1-or-later
Total Downloads
630
Supported Platforms
GitHub Repository
https://gitlab.com/gromacs/gromacs/-/tree/pj_mddb_json_proto-2025Documentation
https://manual.gromacs.org/