Dear Sourav Bhowmik:
I hope you can check that you used right python.
If not, you can:
1. find the location of right python interpreter.
2. run the amb2gro_top_gro.py with the absolute path of python, like '/usr/local/python amb2gro_top_gro.py -h' or '$AMBERHOME/miniconda/bin/python amb2gro_top_gro.py -h'
I hope this will help you.
Shiyu
> -----原始邮件-----
> 发件人: "Sourav Bhowmik via AMBER" <amber.ambermd.org>
> 发送时间: 2024-01-01 19:30:34 (星期一)
> 收件人: amber.ambermd.org
> 抄送:
> 主题: [AMBER] Amber to gromacs conversion
>
> Dear users,
> I am trying to convert amber prmtop and inpcrd to gromacs format using
> amb2gro_top_gro.py programme. The following error is encountered. Kindly
> help me.
>
> sic.sic:~/ala$ amb2gro_top_gro.py
> Traceback (most recent call last):
> File "/home/sic/Downloads/amber22/bin/amb2gro_top_gro.py", line 7, in
> <module>
> import parmed as pmd
> ModuleNotFoundError: No module named 'parmed'
> sic.sic:~/ala$
>
> Sourav
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Received on Mon Jan 01 2024 - 19:30:02 PST
