GROMACS 2021.2-iomkl-2020bGROMACS 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 2021.2-iomkl-2020b
To load the module for GROMACS 2021.2-iomkl-2020b please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):
module load GROMACS/2021.2-iomkl-2020b
BEAR Apps Version
For more information visit the GROMACS website.
This version of GROMACS has a direct dependency on: iomkl/2020b
Last modified on 1st June 2021