[gmx-users] help with "interaction of type atom in the topology database, but an atom of that name was not found in residue" error

Justin Lemkul 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.
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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