[gmx-users] Re: gmx-users digest, Vol 1 #1060 - 7 msgs
Alberto.Imparato at na.infn.it
Mon Nov 3 18:41:02 CET 2003
> Subject: Re: [gmx-users] genconf
> From: David <spoel at xray.bmc.uu.se>
> To: gmx-users at gromacs.org
> Date: 03 Nov 2003 14:44:23 +0100
> Reply-To: gmx-users at gromacs.org
> On Mon, 2003-11-03 at 12:15, Alberto.Imparato at na.infn.it wrote:
> > Hi
> > I have run some simulation with 256 DPPC molecules in water.
> > I would like to simulate a four-times larger system,
> > but with genconf it seems that I have first
> > to eliminate water from my final configuration,
> > multiplies it by 4 and then re-add water.
> > Is there any way to multiply all the coordinates (DPPC+water) by 4?
> genconf -nbox 2 2 1
> should do it
> Please make sure that your lipids are intact (in one piece)
How do I make sure that the lipids are "intact"?
Shall I control each of them?
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