[gmx-users] genion question

[Justin Lemkul]

On 7/23/14, 5:18 PM, ANDRES ADOLFO ORTEGA GUERRERO wrote:
> Hi Dear Gromacs Users,
>
>   I have a doubt , if i need a electrolyte concentration of 150mM of ions of
> NA and CL
>
> the right comand is
>
> genion -s file.tpr -o topol.top -nname CL -pname NA -neutral -conc 0.150 -o
> out.gro ?
>

Yes.  You can confirm the outcome with simple calculations from general chemistry.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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