针对你遇到的 ModuleNotFoundError: No module named 'parmed' 错误,这里有几个可能的解决方案。我将分点进行详细说明: 确认模块是否已安装: 首先,你需要确认是否已经安装了名为 parmed 的模块。可以通过在命令行中运行以下命令来检查: bash pip show parmed 如果系统提示未找到该模块,说明你可能还没有安装它。
Thepdb4amberscript released with AmberTools will just do the right thing if all the hydrogens are in place. Unfortunately it's not reallyimportable(yet -- I hope to rewrite it at some point to go through ParmEd instead of being a standalone program). ...