On Wed, Apr 20, 2016, Brett wrote:
>
> When I use antechamber by acpype to process a ligand pdb, I got the
> following warning message:
>
> Warning: Close contact of 1.489460 angstroms between .R.A and .R.A
This is hard to follow. The message comes not from antechamber, but from
tleap, and I'm guessing that acpype must be calling tleap as a part of its
workflow. If you have access to the leap output, you should look closely
there for more information. You could also visualize your structure to see if
it looks like there are any bad contacts.
Maybe someone on the list who is has experience with acpype can chime in here.
....dac
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Received on Thu Apr 21 2016 - 12:30:05 PDT
