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.

$ Installieren

git clone https://github.com/Chenghao-Wu/skill_packmol /tmp/skill_packmol && cp -r /tmp/skill_packmol/.claude/skills/packmol ~/.claude/skills/skill_packmol

// tip: Run this command in your terminal to install the skill