[gmx-users] Residue 'UNK' not found in residue topology database

Justin Lemkul jalemkul at vt.edu
Fri Sep 13 00:26:25 CEST 2019

On 9/12/19 2:02 PM, Navneet Kumar Singh wrote:
> Yes, I succeed in running NVT and NPT without any error. But when I
> visualized the whole complex system (.gro) file in VMD/CHIMERA. It was like
> (Please download .JPG from the below link)
> https://fil.email/1pKxlHXy
> I have attached a snapshot.
> It looks like something weird problem with co-ordinates, 2 molecules are
> connected with abnormal large bonds. These are the drug/small molecules.
> What problem it can be ?




Justin A. Lemkul, Ph.D.
Assistant Professor
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Virginia Tech Department of Biochemistry
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