packmol

Chenghao-Wu/skill_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.

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Installation

Option 1: Use slash command in Claude Code

/install-skill https://github.com/Chenghao-Wu/skill_packmol/tree/main/.claude/skills/packmol

Option 2: Clone to skills directory

# Global (all projects)

git clone https://github.com/Chenghao-Wu/skill_packmol/tree/main/.claude/skills/packmol ~/.claude/skills/skill_packmol

# Project-specific

git clone https://github.com/Chenghao-Wu/skill_packmol/tree/main/.claude/skills/packmol .claude/skills/skill_packmol

Add MCP server to .cursor/mcp.json:

{
  "mcpServers": {
    "skillz": {
      "command": "npx",
      "args": ["-y", "skillz-mcp", "https://github.com/Chenghao-Wu/skill_packmol/tree/main/.claude/skills/packmol"]
    }
  }
}

Restart Cursor after adding the configuration.

Option 1: Use Gemini CLI command

gemini extensions install https://github.com/Chenghao-Wu/skill_packmol/tree/main/.claude/skills/packmol

Option 2: Clone to extensions directory

git clone https://github.com/Chenghao-Wu/skill_packmol/tree/main/.claude/skills/packmol ~/.gemini/extensions/skill_packmol