[gmx-users] how to keep the simulation box during simulation

David spoel at xray.bmc.uu.se
Tue Dec 16 17:17:00 CET 2003


On Tue, 2003-12-16 at 16:58, Itamar Kass wrote:
>    So this way the xy plane will remain constant?  I already used a
> minimized membrane structure.
yes it should remain constant.

> 
> ----- Original Message ----- 
> From: "David" <spoel at xray.bmc.uu.se>
> To: <gmx-users at gromacs.org>
> Sent: Tuesday, December 16, 2003 4:45 PM
> Subject: Re: [gmx-users] how to keep the simulation box during simulation
> 
> 
> > On Tue, 2003-12-16 at 16:26, Itamar Kass wrote:
> > >    Dear Xavier, I put compressibility 0 on the z axes in order to let
> this
> > > axis to change, and to prevent changes in the xy plane, is that wronge?
> > >
> > compressibility 0 means incompressible.
> >
> >
> > >
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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