GROMACS 2019.2-foss-2019a-PLUMED
There is a newer install of GROMACS
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 and BEAR Cloud VMs):
📋
module load GROMACS/2019.2-foss-2019a-PLUMED
BEAR Apps Version
Architectures
EL8-cascadelake — EL8-icelake — EL8-sapphirerapids
The listed architectures consist of two part: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
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 and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.
Last modified on 31st July 2019