There is a newer version of GROMACSGROMACS 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 2018.4-foss-2018b-PLUMED-tMPI
To load the module for GROMACS 2018.4-foss-2018b-PLUMED-tMPI please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load GROMACS/2018.4-foss-2018b-PLUMED-tMPI
There is a GPU enabled version of this module: GROMACS 2018.4-fosscuda-2018b-PLUMED-tMPI
BEAR Apps Version
For more information visit the GROMACS website.
This version of GROMACS has a direct dependency on: foss/2018b PLUMED/2.4.4-foss-2018b
These versions of GROMACS are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.
Last modified on 4th June 2019