[gmx-users] Ions close to protein

[David van der Spoel]

Joanne Hanna wrote:
> Hi
> 
> When I add ions to my system to neutralise it some are placed quite close to the protein (even when using random) and in other cases during simualtions I have seen ions move into the protein, is this normal/okay and are there any ways of keeping these ions away from the protein?
> 
this is normal.


> Thanks
> Jo
> 
> Joanne Hanna
> Department of Chemistry
> University of Warwick
> Coventry
> CV4 7AL
> 
> (02476) 574623
> J.F.Hanna at warwick.ac.uk
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-- 
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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