[gmx-users] [Fwd: NPAT ensemble]

[Erik Lindahl]

On Monday, Feb 10, 2003, at 06:16 US/Pacific, David van der Spoel wrote:

> -----Forwarded Message-----
>
> From: Markus Müller <markus.mueller at unibas.ch>
> To: David van der Spoel <spoel at xray.bmc.uu.se>
> Subject: NPAT ensemble
> Date: 10 Feb 2003 11:46:53 +0100
>
> Hi David,
>
> I would like to simulate lipids and to conserve fluid phase during the 
> simulation
>
> by applying constant area per lipid.
>
> How can I do this with GROMACS ?
>
> Using semiisotropic pressure coupling with compressibility close to 
> zero in the xy plane ?
>
Hi again Marcus,

Sorry - I didn't read your question carefully enough - of course you 
can set the compressibility
to zero if you want to keep the x/y dimensions constant :-)

Cheers,

Erik