# 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 builds
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-0.2.2.1
## Availability
| Module |Generic|E5|Lake|Epyc|Cascade|
|------|------|------|------|------|------|
|GROMACS/2021.5-foss-2021b-CUDA-11.4.1-PLUMED-2.8.0|| ✓ ||||
|GROMACS/2021.5-foss-2021b-PLUMED-2.8.0|| ✓ ||||
|GROMACS/2021.5-foss-2021b|| ✓ | ✓ || ✓ |