标题: ambertools计算集合自由能出现导入模板错误 [打印本页] 作者Author: 不想读啦 时间: 2022-7-16 18:58 标题: ambertools计算集合自由能出现导入模板错误 请问一下，我利用ambertools中的MMPBSA.py计算结合自由能，结果出现以下报错
ModuleNotFoundError: No module named 'alamdcrd'
Fatal Error!
All files have been retained for your error investigation:
You should begin by examining the output files of the first failed calculation.
Consult the "Temporary Files" subsection of the MMPBSA.py chapter in the
manual for file naming conventions.
我是用anaconda安装的Ambertools21，是安装在虚拟环境中，请问该如何解决呢？