[gmx-users] help with "interaction of type atom in the topology database, but an atom of that name was not found in residue" error
jalemkul at vt.edu
Wed Jan 8 18:53:51 CET 2014
On 1/8/14, 12:07 PM, paulxie wrote:
> Thank you so much Justin! The problem is solved. However, I encountered a new
> error message:
> Fatal error:
> No such moleculetype NA
> I know that there were some discussion about this error on the forum, but I
> get confused of those proposed solutions. Where should I find the files I
> should take care? Thanks!
You're using the wrong ion name. Read the second paragraph of genion -h.
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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