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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Received on Mon Sep 11 2017 - 22:00:03 PDT
