scientific-computingresearch
hpc-gromacs
Build, review, debug, and automate GROMACS molecular simulation workflows. Use when working with GROMACS preprocessing, topology and coordinate files, `.mdp` parameters, energy minimization, equilibration, production MD, analysis commands, or GROMACS runtime errors.
maintainer
SciMate-AI
Mis à jour 3/16/2026
Étoiles
29
Forks
4
quick start
Installation and usage
Build, review, debug, and automate GROMACS molecular simulation workflows. Use when working with GROMACS preprocessing, topology and coordinate files, `.mdp` parameters, energy minimization, equilibration, production MD, analysis commands, or GROMACS runtime errors.
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use hpc-gromacs