vmd-hydrate-mcp

Name: vmd-hydrate-mcp
Author: wjgoarxiv

wjgoarxiv

An MCP server that drives VMD for GROMACS/LAMMPS trajectory analysis + clathrate-hydrate cage science (requires a local VMD install)

Setup

Choose your client, copy the config, then fill in any required environment variables.

claude mcp add vmd-hydrate -- uvx vmd-hydrate-mcp

~/.codex/config.toml

[mcp_servers.vmd-hydrate]
command = "uvx"
args = ["vmd-hydrate-mcp"]

# codex mcp add vmd-hydrate -- uvx vmd-hydrate-mcp

~/.cursor/mcp.json

{
  "mcpServers": {
    "vmd-hydrate": {
      "command": "uvx",
      "args": [
        "vmd-hydrate-mcp"
      ]
    }
  }
}

.vscode/mcp.json

{
  "servers": {
    "vmd-hydrate": {
      "type": "stdio",
      "command": "uvx",
      "args": [
        "vmd-hydrate-mcp"
      ]
    }
  }
}

~/.gemini/settings.json

{
  "mcpServers": {
    "vmd-hydrate": {
      "command": "uvx",
      "args": [
        "vmd-hydrate-mcp"
      ]
    }
  }
}

claude_desktop_config.json

{
  "mcpServers": {
    "vmd-hydrate": {
      "command": "uvx",
      "args": [
        "vmd-hydrate-mcp"
      ]
    }
  }
}

.trae/mcp.json

{
  "mcpServers": {
    "vmd-hydrate": {
      "command": "uvx",
      "args": [
        "vmd-hydrate-mcp"
      ]
    }
  }
}