[gmx-users] water-vacuum-water simulation

[David van der Spoel]

luisa pugliese wrote:
> Dear all,
>   I would like to perform a molecular dinamics simulation of a GPCR in a
> water-vacuum-water box system. Anybody knows if it is possible to do it 
> with
> GROMACS and what should I do?
> Thank you to all
> Luisa
> =============================
> Luisa Pugliese, Ph.D.
> luisa.pugliese at safan-bioinformatics.it
> S.A.F.AN. BIOINFORMATICS
> Corso Tazzoli 215/13 -10137 Torino - ITALY
> tel +39 011 3026230
> fax +39 011 3165080
> cell. +39 333 6130644
> 
> 
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just extend the box length in one dimension.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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://folding.bmc.uu.se
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