[AMBER] How can amber differentiate between terminal Oxygens

From: Hadeer ELHabashy <hadeer.elhabashi.gmail.com>
Date: Thu, 22 Oct 2015 16:00:59 +0200

Dear Sir

wish you are fine !

Actually, I wanted to know how can Amber differentiate between terminal
Oxygens of certain Amino acid.
Suppose that I have two terminal Oxygens
one called O from C-O
the other called OXT from C=O
and they are in resonance of the double bond.

Does amber differentiate between these tow atoms ?
what is the charge on each of them ?!
Or
Are they treated similarly with the same charge and electrostatic
interactions?

Best Regards
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 22 2015 - 07:30:04 PDT
Custom Search