On Wed, May 31, 2017, Loris Moretti wrote:
> Yes, of course. Here in attachment the pdb I've used, which is the
> minimal example for the case.
Thanks. I'm cc-ing this to Junmei.
Junmei: please see the attached pdb file. Antechamber assigns atom type "n3"
to the amino group attached to the cx-cx-cx cyclopropane ring, which looks
correct to me. But the angle parameters for cx-cx-n3 (and related values
like cx-cx-nh and cx-cx-na) look quite wrong. Can you track down where these
came from?
....dac
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Received on Wed May 31 2017 - 05:30:04 PDT
