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GROMACS Skills

by @charleshahn

GROMACS 分子动力学模拟软件命令参考。当 Agent 需要执行 GROMACS 命令但不清楚用法时调用。功能覆盖：(1) 拓扑与结构处理 - pdb2gmx、editconf、solvate、insert-molecules、genrestr；(2) 模拟设置与运行 - grompp、mdrun；(3) 轨...

Versionv1.0.0
#legal
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