[gmx-users] alchemical_analysis.py

Sana Saeed bioinformatic.lady at yahoo.com
Thu Dec 31 08:06:40 CET 2015


HI GMX_users
i am calculating free energy of ethanol following the tutorial from alchemistry website 
http://www.alchemistry.org/wiki/GROMACS_4.6_example:_Direct_ethanol_solvation_free_energy
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"

Regards 
SSK


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