[gmx-users] units of gmx wham output

Irem Altan irem.altan at duke.edu
Thu Jul 27 17:20:06 CEST 2017


I calculated PMFs for a system with gmx wham with the flag -unit kJ. I’m having trouble figuring out what the exact units are. The output .xvg file has the following line:

@    yaxis  label "E (kJ mol\S-1\N)"

Could anyone clarify what this means? What is S and what is N?


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