Hi,
Judging from your log, I'm guessing that residue 823 is a ligand or
modified residue? What I think is going on is that the input you used had
triplicate atom names, ie C1 is named C1 three times instead of C1, C1a,
C1b, etc for whatever 823 is, hence the duplicate atom warning.
Try renaming the atoms in 823 different names so that they don't appear
more than once, and it should work.
Best,
Kenneth
On Tuesday, September 15, 2015, ankita mehta <mehtaroadies.gmail.com> wrote:
> Dear All,
>
> I am trying to create topology and coordinate file for the pdb attached..
>
> It gives the warnings while reading the structure and when these warnings
> are ignored and toplogy and coordinate file is generated , structure is
> faulty ........
>
> Please tell how to overcome such warnings..how to generate successfully
> topology and coordinate files.
>
> Thanks!
>
> Ankita
>
> Fellow
>
> Imtech
>
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Received on Tue Sep 15 2015 - 07:00:03 PDT
