[gmx-users] energy

[David van der Spoel]

mahbubeh zarrabi wrote:
> Dear all
> I am trying to calculate the binding free energy of
> protein and ligand, I used the g_lie command but
> lie.xvg=0 .what is wrong?
> thanks
> 
have you read the papers from the Aqvist group?

> 
>        
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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