[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 03:19:44 CET 2014

On 1/7/14, 12:13 PM, paulxie wrote:
> However, I soon met new problem:
> Fatal error:
> Topology include file "ff_dum.itp" not found
> I don't understand about this error message. Where should I find the file
> ff_dum.itp? I cannot find the same question and its solution from GROMACS
> troubleshooting forum. Does anyone know how to deal with it or met the same
> problem before? Thanks!

You likely don't even need to include that file.  It was from an old version and 
was used for virtual sites ("dummy atoms"), IIRC.



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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