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The skill is an instruction-only GROMACS analysis guide that only references local trajectory/topology files and expected analysis tools; its requirements and instructions are coherent with its stated... [内容已截断]
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"changelog": "- Initial release of the GROMACS 蛋白质分子动力学模拟分析知识工作流指南。\n- Covers nine core analysis types: PBC correction, RMSD, RMSF, gyrate, SASA, DCCM, RDCM, PCA, and FEL.\n- Includes clear Linux\/macOS and Windows CMD compatibility instructions for GROMACS command-line workflows.\n- Details analysis purposes, inputs, outputs, dependencies, and recommended best practices.\n- Provides guidance for troubleshooting, file preparation, and common workflows.\n- Recommends and explains integration with duivytools-skills for data visualization.",
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"summary": "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...",
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