[gmx-users] Ions close to protein

[Joanne Hanna]

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?

Thanks
Jo

Joanne Hanna
Department of Chemistry
University of Warwick
Coventry
CV4 7AL

(02476) 574623
J.F.Hanna at warwick.ac.uk