[gmx-users] Genion error
Justin Lemkul
jalemkul at vt.edu
Thu Oct 24 15:37:24 CEST 2013
On 10/24/13 9:34 AM, felipe vasquez wrote:
> Hi,
>
> I have been trying to add ions to my system so as to make it neutral.
> However, I always obtain the same result:
>
> Solvent Group size (950) is not multiple of 9.
>
What group did you choose at the genion prompt?
> The command I entered in this step was:
>
> genion -s protein_w.tpr -o protein_solv.gro -conc 0.15 -neutral -pname NA+
> -nname CL-
>
Depending on your Gromacs version, this command may not be right. Ion names
were changed as of version 4.5.
-Justin
--
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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