BEAR Applications: GROMACS 2019.6-foss-2019b (for BlueBEAR, BEARCloud VMs, and CaStLeS VMs)

GROMACS 2019.6-foss-2019b

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 2019.6-foss-2019b

To load the module for GROMACS 2019.6-foss-2019b please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load bear-apps-unsupported/handbuilt/2019 module load GROMACS/2019.6-foss-2019b

BEAR Apps Version

2019h

More Information

For more information visit the GROMACS website.

Dependencies

This version of GROMACS has a direct dependency on: foss/2019b

Required By

This version of GROMACS is a direct dependent of: VOTCA/1.5.1-foss-2019b

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.

Version	BEAR Apps Version
2021.3-foss-2021a	2021a
2021.3-foss-2021a-CUDA-11.3.1-PLUMED-2.7.2	2021a
2021.3-foss-2021a-CUDA-11.3.1	2021a
2021.2-iomklc-2020b	2020b
2021.2-iomkl-2020b	2020b
2021.2-fosscuda-2020b	2020b
2021.2-fosscuda-2020a-Python-3.8.2	2020a
2021.2-foss-2020b	2020b
2020.3-fosscuda-2019a	2019a
2019.2-fosscuda-2019a-PLUMED	2019a
2019.2-foss-2019a-PLUMED	2019a
2018.4-fosscuda-2018b-PLUMED-tMPI	2018b
2018.4-fosscuda-2018b-PLUMED	2018b
2018.4-foss-2018b-PLUMED-tMPI	2018b
2018.4-foss-2018b-PLUMED	2018b
2018.4-foss-2018b	2018b
2018.3-fosscuda-2018b	2018b
2018.3-foss-2018b	2018b

Last modified on 3rd April 2020