[gmx-users] [Fwd: NPAT ensemble]
lindahl at stanford.edu
Mon Feb 10 20:26:08 CET 2003
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
> 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 :-)
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