GROMACS 2018.3-foss-2018b

Unsupported: Use of this version of GROMACS is not supported. More information on our Applications Support and Retention Policy.

There is a newer version 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 2018.3-foss-2018b

To load the module for GROMACS 2018.3-foss-2018b please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load bear-apps-unsupported/handbuilt/2019
module load GROMACS/2018.3-foss-2018b

There is a GPU enabled version of this module: GROMACS 2018.3-fosscuda-2018b

BEAR Apps Version

2019h

More Information

For more information visit the GROMACS website.

Dependencies

This version of GROMACS has a direct dependency on: foss/2018b

Required By

This version of GROMACS is a direct dependent of: do_x3dna/fe91033-foss-2018b

Other Versions

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 3rd June 2019