求助：运行pdb4amber报错

boinboinxu · 发表于 Post on 2023-9-21 17:28:05

我设置好amber18的环境变量之后，运行pdb4amber时遇到报错-bash: /usr/local/acpype/amber19-0_linux/bin/pdb4amber: /opt/anaconda1anaconda2anaconda3/bin/python: bad interpreter: No such file or directory。查看/usr/local/acpype/amber19-0_linux/bin/路径下的pdb4amber文件，确实有/opt/anaconda1anaconda2anaconda3/bin/python这行命令，但是这是安装Amber自带的文件应该不能随意更改吧？请问有人能解决吗？

rpestana94 · 发表于 Post on 2023-9-21 23:36:56

Looks like there was a problem during installation, I will try to reinstall ambertools

boinboinxu · 发表于 Post on 2024-3-5 10:17:15

rpestana94 发表于 2023-9-21 23:36
Looks like there was a problem during installation, I will try to reinstall ambertools

Thank you very much. It turned out to be an installation problem. So I reinstalled it.

jyxsdj · 发表于 Post on 2024-7-27 18:41:56

boinboinxu 发表于 2024-3-5 10:17
Thank you very much. It turned out to be an installation problem. So I reinstalled it.

您好，重新安装，解决了吗

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[Amber] 求助：运行pdb4amber报错