[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 1/8/14, 9:39 AM, paulxie wrote:
> Thanks for the answer! However, when I run the command below:
>
>   grompp -f ions.mdp -c xxx_solv.gro -p xxx_topol.top -o xxx_ion.tpr
>
> It keeps showing the error message:
>
> Fatal error:
> Topology include file "ff_dum.itp" not found
>
> Is there a possible way I can skip or not include the file 'ff_dum.itp'?
>

Remove it from whatever file is #including it.  Probably something in the force 
field distribution itself.  It was designed for an older version of Gromacs, so 
some kinks may need to be worked out.

-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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