# gromacs-mcp

> gromacs-mcp — alierkn-gromacs-mcp. Use this tool when you need to run molecular dynamics simulations through natural language inputs, managing simulation workflows from topology building to trajectory processing. It solves problems in molecular simulation by providing an intuitive interface for complex tasks, such as solvation and simulation management. The gromacs-mcp tool takes natural language commands as input and outputs managed simulations and processed trajectories.

Canonical page: https://skillsregistry.net/skills/alierkn-gromacs-mcp  
JSON: https://api.skillsregistry.net/v1/skills/alierkn-gromacs-mcp

## Description

Enables running GROMACS molecular dynamics simulations through natural language, with tools for topology building, solvation, simulation management, and trajectory processing via the Model Context Protocol.

## Trust

- **Trust score (0–1):** 0.69
- **Verification tier:** scanned
- **Last scanned:** 2026-09-03

## Facts

- **Version:** 1.0.0
- **Skill type:** atomic
- **Execution layer:** mcp-remote
- **Runtime environment:** api
- **Category:** other
- **Updated:** 2026-09-03

## Source

- **Source listing:** [Glama](https://glama.ai/mcp/servers/hzho2ucsop)
- **Repository:** <https://github.com/Alierkn/gromacs-mcp>

## Use it

Resolve this record through the SkillsRegistry MCP server (no auth, read-only):

```
claude mcp add --transport http --scope user skillsregistry https://api.skillsregistry.net/mcp
```

```json
{
  "jsonrpc": "2.0",
  "id": 1,
  "method": "tools/call",
  "params": {
    "name": "get_skill",
    "arguments": {
      "slug": "alierkn-gromacs-mcp"
    }
  }
}
```

REST: `GET https://api.skillsregistry.net/v1/skills/alierkn-gromacs-mcp` · pull for local use: `GET https://api.skillsregistry.net/v1/skills/alierkn-gromacs-mcp/pull`

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