[gmx-developers] MD Units

Erik Lindahl erik.lindahl at gmail.com
Mon Apr 25 21:22:36 CEST 2016

Hi Adam,

The stuff you get from the energy file should be bars. The first chapters is more about documenting the “natural” internal units, but we should probably clarify this.



> On 25 Apr 2016, at 21:17, Rigby, Adam <adam.rigby at uky.edu> wrote:
> Dear All
> Are the MD Units at the beginning of the user manual correct, indicating that the pressure units are 16 bar (page 21 of manual-5.0.1) or are they 1 bar (given by page 223 of the same manual). Because this variation is quite worrying and i have no clue what my actual units are.
> Regards
> Dr A. Rigby
> -- 
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