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 > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Florian Dommert Dipl. - Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart EMail: domm...@icp.uni-stuttgart.de Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658
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-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists