[gmx-users] [Fwd: NPAT ensemble]

[David van der Spoel]

-----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 ?

Greetings

Markus Müller

--

________________________________________

  Markus Müller
  DEPARTEMENT CHEMIE
  UNIVERSITÄT BASEL
  Klingelbergstrasse 80
  CH-4056 Basel

  email: markus.mueller at unibas.ch
  tel  : ++41 61 267 09 40
  fax  : ++41 61 267 38 55


-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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