Molecular Dynamics

- **OpenMM documentation**: https://openmm.org/documentation.html

Scientific View Source →

LLM Evaluation

Evaluated by: xiaomi/mimo-v2-flash:free

Last evaluated: March 29, 2026

Prompt Quality

3.0 /5

Evaluation error: RetryError[]

Usefulness

3.0 /5

Evaluation error: RetryError[]

Overall Rating

3.0 /5

Evaluation failed

Prompt Preview

---
name: molecular-dynamics
description: Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics.
license: MIT
metadata:
    skill-author: Kuan-lin Huang
---

# Molecular Dynamics

## Overview

Molecular dynamics (MD) simulation computationally models t...

Full prompt length: 14682 characters

Tools & Technologies

• php
• python
• Python