[gmx-users] request

[David]

On Sun, 2004-01-18 at 08:26, Y U Sasidhar wrote:
> karthik wrote:
> 
> > Hi
> > Can someone tell me whether the energy calculated by g_energy is for 
> > the whole system or for only the protein,
> > anyway it doesn't have a -n option,please clarify..
> > rgds
> > karthik.
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> 
> 
> protein, sol, whole system depending on the energy  groups specified.
that's correct. the first terms, like potential energy, angles, bonds
etc. are all for the entire system. at the end you have specified
group-group interactions if you specified energy_grps in your mdp file.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel
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