[gmx-users] Genion error
jalemkul at vt.edu
Thu Oct 24 15:37:24 CEST 2013
On 10/24/13 9:34 AM, felipe vasquez wrote:
> 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.
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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