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

Navneet Kumar Singh navneetcdl at gmail.com
Thu Sep 12 19:56:51 CEST 2019


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 ?

On Thu, Sep 12, 2019 at 11:29 PM Navneet Kumar Singh <navneetcdl at gmail.com>
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
>
> 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 ?
>
>
>>
>>

-- 






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_______________________________________________________

[image: photo]
*NAVNEET KUMAR*
Doctoral Student
Dept. of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research, Sector 67,
S.A.S. Nagar - 160062, Punjab (INDIA)
P +918017967647  <+918017967647> |
E navneetcdl at gmail.com  <navneetcdl at gmail.com>
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