[gmx-users] shall we use double precision?

[Dr. Vitaly Chaban]

It is *desirable*.

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

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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