GROMACS 2019.2-foss-2019a-PLUMED

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 2019.2-foss-2019a-PLUMED

To load the module for GROMACS 2019.2-foss-2019a-PLUMED please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load GROMACS/2019.2-foss-2019a-PLUMED

There is a GPU enabled version of this module: GROMACS 2019.2-fosscuda-2019a-PLUMED

BEAR Apps Version

2020a

More Information

For more information visit the GROMACS website.

Dependencies

This version of GROMACS has a direct dependency on: foss/2019a PLUMED/2.5.2-foss-2019a

Other Versions

These versions of GROMACS are available on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 31st July 2019