[gmx-users] [gmx-developers] MD Units

[Mark Abraham]

Hi,

I fixed the definition to be bar, and removed some other stuff I think is
unnecessary at https://gerrit.gromacs.org/#/c/5826/

Mark

On Mon, Apr 25, 2016 at 9:22 PM Erik Lindahl <erik.lindahl at gmail.com> wrote:

> 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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