spoel at xray.bmc.uu.se
Mon Nov 3 12:56:02 CET 2003
On Mon, 2003-11-03 at 12:15, Alberto.Imparato at na.infn.it wrote:
> 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)
> Alberto Imparato
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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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