# GROMACS

Description
===========
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.

This is a CPU only build, containing both MPI and threadMPI binaries
for both single and double precision.

It also contains the gmxapi extension for the single precision MPI build.


More information
================
 - Homepage: https://www.gromacs.org


Included extensions
===================
gmxapi-0.4.2
## Availability 
| Module |Generic|E5|Lake|Epyc|Cascade|
|------|------|------|------|------|------|
|<a href="gromacs.html">GROMACS/2021.5-foss-2021b-CUDA-11.4.1-PLUMED-2.8.0</a>|| ✓ ||||
|<a href="gromacs.html">GROMACS/2021.5-foss-2021b-PLUMED-2.8.0</a>|| ✓ ||||
|<a href="gromacs.html">GROMACS/2021.5-foss-2021b</a>|| ✓ | ✓ || ✓ |
|<a href="gromacs.html">GROMACS/2023.3-foss-2023a-CUDA-12.1.1-PLUMED-2.9.0</a>|| ✓ ||||
|<a href="gromacs.html">GROMACS/2023.3-foss-2023a</a>|| ✓ | ✓ || ✓ |
|<a href="gromacs.html">GROMACS/2024.1-foss-2023b</a>|| ✓ ||||