PLUMED for gromacs

User discussions
1

“Dear all, I am attempting to download PLUMED in order to conduct enhanced sampling using Gromacs 3 2020. Could you please inform me which version of PLUMED would be compatible with Gromacs 3 2020? Kind regards.”

2

Plumed is not compatible with all versions of gromacs, when you say “gromacs 3 2020” I assume you mean “gromacs 2020.3” The 2020 version that PLUMED is compatible with is gromacs 2020.7. You will need to compile an appropriate version of gromacs.

PLUMED V2.9 is compatible with:
gromacs-2020-7

  • gromacs-2021-7
  • gromacs-2022-5
  • gromacs-2023
  • namd-2-12
  • namd-2-13
  • namd-2-14
  • qespresso-5-0-2
  • qespresso-6-2
  • qespresso-7-0

and PLUMED V 2.8 is compatible with:

  • gromacs-2019-6
  • gromacs-2020-7
  • gromacs-2021-7
  • gromacs-2022-5
  • gromacs-4-5-7
  • namd-2-12
  • namd-2-13
  • namd-2-14
  • qespresso-5-0-2
  • qespresso-6-2
3

You can view PLUMED website to see the compatibilities