[gmx-users] Using nose-Hoover thermostat with berendsen barostat

[Mark Abraham]

Hi,

The more Berendsen you use, the less physics you get ;-)

Mark

On Tue, 18 Jul 2017 13:44 jay patil <jpatil911 at gmail.com> wrote:

> Hi Experts,
> Can we use nose-Hoover thermostat in combination with berendsen barostat.
> When I use grompp command, it gives warning berendsen will not give true
> ensemble, and with -maxwarn 1 option I am able to run the simulation.  My
> doubt is: can we use this combination of thermostat and barostat. Or both
> should be berendsen.
> Any suggestion will be helpful.
>
> Thanks
>
> Yogesh
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