[gmx-users] unit of ekrot and ektrans

Swarnendu Tripathi stripat1 at kent.edu
Tue May 31 21:31:00 CEST 2011

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?

Thank you,

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