[gmx-users] Can't find alchemical-gromacs.py

[CROUZY Serge 119222]

Dear gromacs users

I'm following the alchemistry.org gromacs4.6 example on ethanol solvation free energy
I've run the simulations and I'm now at the stage of the analysis
I installed pymbar.git and pymbar-examples.git
But in the alchemical-free-energy directory I find alchemical_analysis.py but no alchemical-gromacs.py !!
When I try to run alchemical_analysis.py on my ethanol data with -f ./ethanol. it doesn't work  (returns -f:  invalid integer value) meaning that alchemical_analysis.py and alchemical-gromacs.py are probably different - Where do I find alchemical-gromacs.py ??

Thx a lot

Serge Crouzy PhD HDR
Groupe de Modélisation et Chimie Théorique
Laboratoire de Chimie et Biologie des Métaux 
Institut de Biosciences et Biotechnologies de Grenoble
CEA Grenoble  UMR  CEA/CNRS/UJF 5249
17, rue des martyrs
38054 Grenoble Cedex 9
Bat. K  pièce 110   
Tel (33)0438782963
Fax (33)0438785487
http://big.cea.fr/drf/big/CBM/GMCT

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