[gmx-users] shall we use double precision?

Dr. Vitaly Chaban vvchaban at gmail.com
Tue Jun 11 09:41:49 CEST 2013

It is *desirable*.

In many cases of free energy calculations, single precision is still

Dr. Vitaly Chaban

On Tue, Jun 11, 2013 at 7:35 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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