[gmx-users] Re: Extracting energy components

[David van der Spoel]

On Mon, 2005-03-14 at 13:39 -0800, Huafeng Xu wrote:
> I used make_ndx to make the index file, put in the mdp file the following 
> line:
> 
> energygrps = HE SOL
> 
> where HE is my first group and SOL is the solvent group.
> 
> grompp'ed the mdp file, and used 
> 
> mdrun -rerun HE.trr ...
> 
> to recompute the energies. But now I cannot find a way to extract the 
> energy components. More help?
What does g_energy say?
> 
> Huafeng
> 
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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://xray.bmc.uu.se/~spoel
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