Marius,
> The above representation got messed up, so I'm going to explain it. The
> linker has on both ends the C=O group, so what I called linker are just a
> few carbon and nitrogen atoms. Between this C=O and the NZ-H of the lysine I
> have a peptidic bond.
Yes, sorry... I realized once I sent the email that your linker was
CO-R-CO (and not NH-CO-NH).
Anyway, your target molecule is still:
ACE-NHCH(R)CO-NME with R = (CH2)4NH-ACE (ACE = MeCO; NME = MeNH)
> Apparently, even for LYS residue, only two conformations where used for
> deriving the charges in the original paper.
Yes
regards, Francois
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 08 2009 - 01:09:24 PDT