it will be very difficult for people to help if they don't know how you
created that pdb file, and how you developed the ligand.
you might want to start with this tutorial, and then if you have trouble
let us know what you tried and what happened.
http://ambermd.org/tutorials/basic/tutorial4b/index.htm
On Fri, Dec 8, 2017 at 4:08 PM, Mustafa Alhaji Isa <
mustafaisa.unimaid.edu.ng> wrote:
> The 419 is the ligand
>
> -- 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)
>
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Received on Fri Dec 08 2017 - 15:30:02 PST
