[gmx-users] unit of ekrot and ektrans

Dommert Florian dommert at icp.uni-stuttgart.de
Tue May 31 21:45:01 CEST 2011

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.


> 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
Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

Tel.: +49 - (0)711 - 68563613
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