From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri Sep 18 2015 - 09:44:50 CDT
Your problem is equivalent to applying a given pressure along z and a
nonzero surface tension along x/y (assuming nearly constant cell height Lz).
You should be able to achieve that using SurfaceTensionTarget.
Pz is then specified by LangevinPistonTarget,and I think the surface
tension should be Lz * (Pz - 1 bar).
On 18 September 2015 at 15:50, Mahdi Tavakol <mahditavakol_at_ymail.com> wrote:
> Dear NAMD users,
> I would like to stretch my system using anisotropic pressure control. As I
> know, using useConstantArea the pressure just be controlled in the z
> direction. However, the values of Pxx and Pyy remain uncontrolled and
> increase during the simulation. Is there any way to control Pxx and Pyy in
> 1 bar, while increasing the value of Pzz.
> Any help is appreciated in advance,
> Mahdi Tavakol
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