gromacs
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:
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
Nov 28, 2025 at 16:05
License
LGPL-2.1-or-later
Total Downloads
650.3K
Supported Platforms
GitHub Repository
https://gitlab.com/gromacs/gromacsDocumentation
https://manual.gromacs.org/