[gmx-users] free energy calculation

Peter Fojan fp at bio.auc.dk
Tue Apr 30 09:55:15 CEST 2002

I have a question does anybody have any experience in the calculation of
free energy in Gormacs,. I try to calculate the free energy in a
solution of a solute in different solvents, like water, octanol,
octanthiol. Can anybody give me some hints or ideas how to do this in
Thanks for your help,

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