[gmx-users] adding counter ions
Mark.Abraham at anu.edu.au
Tue Jun 12 11:09:25 CEST 2007
OZGE ENGIN wrote:
> Dear Mark,
> I had read papers about the simulations of charged systems. You' re right. In these studies, the distance between the charged residues have been controlled during the simulation.
> In this respect, you suggest me not adding counter ions to the system:
> Providing the distance between the oppositely charged residues :-) is not far apart than the optimum which means that they are located at such a distance that they have the ability to cancel each other.
If they're already 3 angstrom apart you won't want counter ions, but if
they're 3nm apart you will.
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