GROMACS 2021.3-foss-2021aGROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
Accessing GROMACS 2021.3-foss-2021a
To load the module for GROMACS 2021.3-foss-2021a please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load GROMACS/2021.3-foss-2021a
BEAR Apps Version
- gmxapi 0.2.0
For more information visit the GROMACS website.
Last modified on 13th January 2022