BytesAgain › Skills › GROMACS Protein Analysis
🦀 ClawHub
GROMACS Protein Analysis
by @charleshahn
蛋白质分子动力学模拟分析的流程知识指南。当 Agent 需要执行某个分析但不清楚具体流程时调用。涵盖九种核心分析的完整工作流:(1) PBC 修正 - 消除周期性边界伪影,居中蛋白质/配体;(2) RMSD 分析 - 测量结构稳定性和模拟收敛性;(3) RMSF 分析 - 评估每个残基的灵活性;(4) 回转半径分...
Versionv1.0.0
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