[gmx-users] Single or Double precision?

[Mark Abraham]

True, if it's 4.6. If it's earlier, you will need to run mdrun and inspect
the log file.

Mark


On Wed, Mar 12, 2014 at 9:44 AM, Szilárd Páll <pall.szilard at gmail.com>wrote:

> Check the version header, it contain a "Precision" field (e.g. mdrun
> -version).
> --
> Szilárd
>
>
> On Wed, Mar 12, 2014 at 9:03 AM, Dario Corrada <dario.corrada at gmail.com>
> wrote:
> > How I can check if a packaged version of GROMACS (such as those available
> > from Fedora or Ubuntu repositories) has been pre-compiled with single or
> > double precision?
> >
> > --
> > Dario CORRADA, PhD
> > Bioinformatics and Computational Chemistry specialist
> >
> > URL......: http://it.linkedin.com/in/dariocorrada/
> > mail.....: dario.corrada at gmail.com
> > skype....: dario.corrada
> > tel......: +39 333 5347024
> > address..: via Benvenuto Cellini, 4 - 20900 Monza IT
> >
> > "When you have eliminated the impossible, whatever remains, however
> > improbable, must be the truth."
> > [A.C. Doyle]
> >
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