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.
This is a CPU only build, containing both MPI and threadMPI builds.
More information¶
- Homepage: http://www.gromacs.org
Availability¶
| Module | Manneback | Lemaitre4 |
|---|---|---|
| GROMACS/2023.3-foss-2022a-CUDA-11.7.0 | √ | |
| GROMACS/2023.3-foss-2023a | √ |