On Thu, Oct 22, 2015, Hadeer ELHabashy wrote:
>
> 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 ?
Amber uses the same parameters for both oxygens. You can find out the answers
to questions like these (and others) by running the parmed program and asking
it to print out charges, bonding parameters, or whatever.
....dac
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Received on Thu Oct 22 2015 - 15:30:03 PDT
