hi
how did you install your python?
can you try this:
python -c "import mdoutanalyzer; print(mdoutanalyzer)"
python -c "import os; print(os.getenv('PYTHONPATH'))"
Hai
On Tue, Sep 12, 2017 at 12:31 AM, jacky zhao <jackyzhao010.gmail.com> wrote:
> Hi everyone
> When I used mdout_analyzer.py to analysis the output files of my
> simulation, the error occur. According to the suggestion, we have source
> the amber.sh without any error messages.
> More importantly, I can use mmpbse.MPI.py to calculate binding energy
> without any error.
> The PYTHONPATH is
> /home/jacky/amber16/lib/python2.7/site-packages:/home/
> jacky/amber16/lib/python2.7/site-packages:/usr/lib64/
> python2.7/site-packages/:/usr/lib64/python2.7/site-packages/
> :/home/jacky/amber16/lib64/python2.7/site-packages/
>
> Anyone can give me some suggestions?
>
> Thank you for taking your time
>
>
>
> The error message was attached below:
> analysis mdout_analyzer.py ../test22_md_1ms.out ../test22_md_1-1ms.out
> ../test22_md_1-2ms.out ../test22_md_2ms.out
> Traceback (most recent call last):
> File "/home/jacky/amber16/bin/mdout_analyzer.py", line 18, in <module>
> (amberhome, amberhome))
> ImportError: Could not import Amber Python modules. Please make sure you
> have sourced /home/jacky/amber16/amber.sh (if you are using
> sh/ksh/bash/zsh) or /home/jacky/amber16/amber.csh (if you are using
> csh/tcsh)
>
>
> --
> Lei Zhao, Ph.D.
> International Joint Cancer Institute of the Second Military Medical
> University
> National Engineering Research Center for Antibody Medicine
> New Library Building 11th floor,800 Xiang Yin Road
> Shanghai 200433
> P.R.China
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>
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Received on Mon Sep 11 2017 - 22:00:04 PDT
