GROMACS

Description

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. It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since Gromacs is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. Polymers.

Installations

CTE-AMD:
Versions:
2022.5_plumed
2022.3_plumed
2022.2
2021_plumed
2021.6_plumed
2021.2
2021
2020.3_norocm
2020.3
2020.1

StarLife:
Versions:
2022.3
2021.2
2019.4-plumed
2019.1
2018.2-plumed
2018.0

Nord3:
Versions:
5.1.4
5.1.3
5.1.2
5.1
5.0.4
5.0-plumed-2.1.5
5.0-plumed-2.1.1
5.0
4.6b3
4.6b2
4.6.7-plumed-2.1.0
4.6.7-plumed-2.1-hrex
4.6.5-plumed-2.1b
4.6.5-plumed
4.6.5
4.6.3-plumed
4.6.3
4.6.2
4.6.1
4.6
4.5.5-plumed
4.5.5
4.5.4
4.0.7
4.0.4-plumed
3.3.4
3.3.1
2023.2
2021.4
2020.4
2018
2016.5-plumed
2016.4