scientific-computingresearch
packmol
This skill should be used when the user asks to "create a packmol input", "pack molecules with packmol", "solvate a protein", "build an initial configuration", "setup molecular dynamics", or discusses molecular packing, solvation, or building simulation starting structures.
maintainer
aiskillstore
Mis à jour 1/20/2026
Étoiles
90
Forks
3
quick start
Installation and usage
This skill should be used when the user asks to "create a packmol input", "pack molecules with packmol", "solvate a protein", "build an initial configuration", "setup molecular dynamics", or discusses molecular packing, solvation, or building simulation starting structures.
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use packmol