[gmx-users] g_energy

[David van der Spoel]

mahbubeh zarrabi wrote:
> Dear GROMACS users
> I want to calculate free energy in complex,receptor
> and ligand .what are energy groups in md.mdp?
> protein,solution or protein,protein,solution
> thanks
please read the manual, chapter 3 etc. then look on the gromacs wesbite 
for tutorials.

> 
> 
>  
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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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