Unsupported: Use of this version of GROMACS is not supported. More information on our Applications Support and Retention Policy.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.
Accessing GROMACS 2023.3-foss-2022a
To load the module for GROMACS 2023.3-foss-2022a please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):
module load bear-apps-unsupported/handbuilt/2019
module load GROMACS/2023.3-foss-2022a
BEAR Apps Version
- gmxapi 0.4.2
For more information visit the GROMACS website.
Last modified on 14th November 2023