[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]

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

-- 
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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