[gmx-developers] MD Units

[Erik Lindahl]

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.

Cheers,

Erik


> 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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