[gmx-users] energy units

[David van der Spoel]

On Tue, 2005-04-19 at 15:45 +0200, Michal Kolinski wrote:
> Hi all 
> In manual it says energy units are kj/mol.  G_energy gives all the
> energies in kJ mol\S-1\N units:
> @    title "Gromacs Energies"
> @    xaxis  label "Time (ps)"
> @    yaxis  label "E (kJ mol\S-1\N)"
> My system is made of dppc lipid, protein, ligand and ions. 
> Is there any easy way to calculate all the energies using kj/mol
> units.
That's what it is, just plot it in xmgrace...
> Thank you in advance.
> 
>  
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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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