On Fri, Feb 26, 2016, Casalini Tommaso wrote:
> When I load the protein with the loadpdb command, tleap creates a new
> atom called HD1 for the HIE residue.
I think we need more details, or an example pdb file. Tleap won't do what you
describe, so I suspect there is some problem with your pdb file that you don't
recognize. Also, try running pdb4amber to see what is produced.
...dac
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Received on Fri Feb 26 2016 - 06:00:04 PST
