[gmx-users] Genion: specify minimum distance between counter-ion and solute

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 7 01:38:39 CET 2007

Narayanan Veeraraghavan wrote:
> Hi,
> I was wondering if there was a way to specify a minimum distance
> between the counter-ion and solute, using Genion. There is a rmin
> option, buts thats for the dist between the ions. But, I am interested
> in the distance between ions and solute. Would appreciate any help.

No there's no way to do that. I don't see much point in it anyway... 
opposite-charge ions will move inside that radius during the simulation 


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