Molecular Dynamics

Runs and analyzes molecular dynamics simulations with OpenMM and MDAnalysis. Sets up protein/small molecule systems, defines force fields, runs energy minimization and production MD, and analyzes trajectories (RMSD, RMSF, contact maps, f…

安装方式：打开 GenHub 客户端 → 技能市场 → 搜索「Molecular Dynamics」→ 一键安装。

来源：K-Dense-AI/scientific-agent-skills（MIT）