[gmx-users] [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
> -- 
> Gromacs Developers mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List <http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List> before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists <http://www.gromacs.org/Support/Mailing_Lists>
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers <https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers> or send a mail to gmx-developers-request at gromacs.org <mailto:gmx-developers-request at gromacs.org>.