On Mon, Apr 18, 2016 at 12:38 AM, Brett <brettliu123.163.com> wrote:
> For processing by antechamber, should be the PDB for the ligand with H atoms, or the H atoms of the ligand in the PDB can be omitted?
The file should contain everything you eventually want to simulate, so
in general yes you want H atoms present.
-Dan
>
>
> I am looking forward to getting a reply from you.
>
>
> Brett
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Received on Mon Apr 18 2016 - 07:30:03 PDT
