[gmx-users] alchemical_analysis.py

hannes.loeffler at stfc.ac.uk hannes.loeffler at stfc.ac.uk
Thu Dec 31 10:22:10 CET 2015

This is really not a GROMACS issue and you should use the issue tracker on GitHub for this.  I have seen that you have done so about 4 hours ago around 05:00 UTC.  So probably not surprising that you haven't got an answer yet...  Also, your error message suggests that you are not using the current release version, so be specific, on the tracker, as how you have obtained the version you have.
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Sana Saeed [bioinformatic.lady at yahoo.com]
Sent: 31 December 2015 07:00
To: gromacs.org_gmx-users
Subject: [gmx-users] alchemical_analysis.py

HI GMX_users
i am calculating free energy of ethanol following the tutorial from alchemistry website
i installed pymbar, and i also have script of alchemical_analysis.py (in the tutorial they have mentioned old version alchemical_gromacs.py which is not available now) i am getting this error, i dont know how to solve this problem, i also send message to David L. Mobley because the script is written by him i think, but didnt get reply.
the error msg is
Traceback (most recent call last):
File "alchemical_analysis.py", line 1076, in
import parsers.parser_gromacs
ImportError: No module named parsers.parser_gromacs"

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