[gmx-users] [gmx-developers] MD Units
erik.lindahl at gmail.com
Mon Apr 25 21:22:36 CEST 2016
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.
> Dr A. Rigby
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