[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 A. Lemkul, Ph.D.
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


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