[gmx-users] thermostat and barostat

Mark Abraham mark.j.abraham at gmail.com
Wed Mar 7 18:50:27 CET 2018


Hi,

The pressure coupling algorithms operate globally (but possibly
anisotropically)

Mark

On Wed, Mar 7, 2018, 17:43 Faezeh Pousaneh <fpoosaneh at gmail.com> wrote:

> Hi,
>
> I simulate a system which is very sensitive to chosen thermostat and
> barostat. I see information in
> Gromacs webpage (*
> http://www.gromacs.org/Documentation/Terminology/Thermostats
> <http://www.gromacs.org/Documentation/Terminology/Thermostats>*) that some
> thermostat are not good for systems with very few degrees of freedom (as my
> system).
> Is it the same with barostats? if so, which barostat I should choose (for
> no-interacting system)?
>
> Best regards
> --
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