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
--
==================================================
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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