[gmx-users] How to include sodium ion

Justin A. Lemkul jalemkul at vt.edu
Fri Mar 26 00:31:57 CET 2010

Lum Nforbi wrote:
> Hi All,
>    I would like to include sodium ions into a water/AOT (sodium 
> di-2-ethylhexylsulfoccinate) cubic box. Can someone tell me how to do 
> this and how to include parameters for the sodium ion in the parameter file?
> I appreciate your answers.

Shouldn't this be as simple as using genion and then:

#include "ions.itp"

in the topology?  Or is there some other problem you're having?


> Lum


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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