[gmx-users] pressure coupling

[Peter Kroon]

Hi,


IIRC you can set pcoupl to semiisotropic, set the x/y compressibility
(or tau-p?) to 0, and set z to what you want it to be.


Peter


On 17-10-16 21:45, pari lotfi wrote:
> Dear all,
>
> How can I simulate a box of water in NATPz condition?
> In this simulation, particle number N, surface area A, temperature T, and
> vertical pressure Pz is fixed, while the height of the box is fluctuating.
> In don't see the pressure coupling with this condition.
>
> Thanks,
> Pari