[gmx-users] Constant normal pressure simulation
bobjohnson1981 at gmail.com
Thu Feb 15 21:02:52 CET 2007
Use semiisotropic pressure coupling with with the compressibility and
reference pressure both 0 in the xy dimension.
On 2/15/07, toma0052 <toma0052 at umn.edu> wrote:
> 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,
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