Re: [AMBER] Problem of loading complex

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Fri, 8 Dec 2017 15:51:33 -0500

what is the source of the pdb file? have you looked in the pdb file at
residue 419 to see what's there?

On Fri, Dec 8, 2017 at 3:48 PM, Mustafa Alhaji Isa <
mustafaisa.unimaid.edu.ng> wrote:

> Dear All
>
> I want to create topology and coordinate of protein-ligand complex,
> but when I load the complex, it display that some atoms are duplicate
> and thereby fail to create the topology file
>
> Loading PDB file: ./ma183.pdb
> -- residue 419: duplicate [ C] atoms (total 30)
> -- residue 419: duplicate [ H] atoms (total 2)
> -- residue 419: duplicate [ N] atoms (total 4)
> -- residue 419: duplicate [ O] atoms (total 3)
>
>
> --
> Warm regards
>
>
> Mustafa Alhaji Isa
> Unimaid
>
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Received on Fri Dec 08 2017 - 13:00:02 PST
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