[gmx-users] solvent box

[David van der Spoel]

On Thu, 2004-02-12 at 17:50, sadhna wrote:
> hi all,
>        While doing MD in water my peptide is not confined to the centre
> of the box and sometimes a part of the peptide also goes out of the box,
> though i have used box size of appropriate length. where could be the
> problem?
> 
there is no problem. it is just diffusion

> thanks in advance
> sadhna
> 
> Sadhna Joshi
> Research Scholar
> Dept of Chemical Engg
> Indian Institute of Technology,Powai
> Mumbai-400076
> India
> 
> 
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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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