[gmx-users] unit of ekrot and ektrans
stripat1 at kent.edu
Tue May 31 21:31:00 CEST 2011
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users