[gmx-users] shall we use double precision?

Mark Abraham mark.j.abraham at gmail.com
Tue Jun 11 08:55:39 CEST 2013


Probably not. What does PLUMED documentation recommend?

Mark
On Jun 11, 2013 7:36 AM, "Albert" <mailmd2011 at gmail.com> wrote:

> Hello :
>
>  I am going to use Gromacs with PLUMD plugin to perform Metadynamics.
> Since this methods involved in free energy calculations, I am just
> wondering is it necessary to introduce double precision Gromacs?
>
> thank you very much
>
> Albert
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