Gmx Vmd Mcp
Developer ToolsMCP service for GROMACS and VMD molecular dynamics simulations and visualization
Installation
{{PATH_TO_UV}} --directory {PATH_TO_SRC}/mcp-gmx-vmd run mcp run mcp_server.pyView configuration snippet
{
"mcpServers": {
"gmx_vmd": {
"command": "{{PATH_TO_UV}}",
"args": [
"--directory",
"{PATH_TO_SRC}/mcp-gmx-vmd",
"run",
"mcp",
"run",
"mcp_server.py"
],
"env": {
"PYTHONPATH": "{PATH_TO_SRC}/mcp-gmx-vmd",
"MCP_DEBUG": "1",
"PYTHONUNBUFFERED": "1"
}
}
}
}💡 Tip: Make sure you have the appropriate package manager installed. Refer to the official documentation for detailed installation instructions.
Compatibility Matrix
Cursor
Claude Desktop
MCP Compatible
Server Information
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