[gmx-users] Constant normal pressure simulation

[Robert Johnson]

Use semiisotropic pressure coupling with with the compressibility and
reference pressure both 0 in the xy dimension.
Bob


On 2/15/07, toma0052 <toma0052 at umn.edu> wrote:
> Hello,
>      I am looking to do a membrane simulation where I have a constant
> pressure normal to the membrane, and a fixed area of the membrane.  Being
> semi-unfamiliar with pressure coupling schemes, how would I do this in
> Gromacs?  It seems that even if I use the semiisotropic pressure coupling
> scheme, the simulation box will rescale to maintain whatever pressure I name
> for the x and y directions.  I want the x and y box dimensions to stay fixed
> with only the z box dimension allowed to fluctuate, as done by
> Sankararamakrishnan and Weinstein, 2004.
>
> Thank you,
> Mike
>
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