[gmx-users] units of gmx wham output

gozde ergin gozdeeergin at gmail.com
Thu Jul 27 17:28:56 CEST 2017


Capital {S-1} is to make it  ^{-1}. It is for superscript. And the \N returns the text to the default state.
So it is basically the y-axis name for xmgrace tool. 
If you plot your .xvg file by using xmgrace you will see kj/mol on your Y-axis title.

Overall your energy unit is kj/mol which is what you asked for.


> On 27 Jul 2017, at 16:54, Irem Altan <irem.altan at duke.edu> wrote:
> 
> (kJ mol\S-1\N)



More information about the gromacs.org_gmx-users mailing list