请问gromacs对大蛋白复合物进行模拟时总原子数超过了10w使得原子编号被截断，有什么好的处理方法？ - 知乎
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当使用GROMACS对大蛋白复合物进行模拟且原子编号超过10w被截断时，可以考虑以下几种处理方法： 1. 使用索引文件（Index File） - 原理：GROMACS允许你使用索引文件来指定分子、原子组等。通过创建索引文件，你可以更灵活地处理原子编号问题。 - 操作步骤： - 使用 gmx make_ndx 命令来创建索引文件。 - 在 ...
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