[gmx-users] unit of ekrot and ektrans

[Swarnendu Tripathi]

Thanks. I got it.

I was using gnuplot before.

-Swarnendu

On Tue, May 31, 2011 at 3:45 PM, Dommert Florian <
dommert at icp.uni-stuttgart.de> wrote:

> On Tue, 2011-05-31 at 15:31 -0400, Swarnendu Tripathi wrote:
> > Hello everybody,
> >
> > I have a question ragarding the unit of translational and rotational
> > energy. I am using the gromacs-4.0.7 version and it gives these units
> > in the ektran.xvg and ekrot.xvg as "kJ mol\S-1\N" after I used the
> > command" g_traj -f traj.trr -s topol.trr -ekt ektrans.xvg -ekr
> > ekrot.xvg.
> > I was expecting the unit of these quantitites in the unit of energy
> > "kJ/mol" in gromacs. Any suggestions to convert these to right unit?
> >
>
> \S-1\N is just a xmgrace command for a superscript. Plot ektrans.xvg and
> ekrot.xvg with xmgrace and check which unit appears at the axes labels.
>
> /Flo
>
> > Thank you,
> >
> > -Swarnendu
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>
> --
> Florian Dommert
> Dipl. - Phys.
>
> Institute for Computational Physics
> University Stuttgart
>
> Pfaffenwaldring 27
> 70569 Stuttgart
>
> EMail: dommert at icp.uni-stuttgart.de
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