> I am trying to reassign partial charges to a non-standar TRP. My
> model
> is ACE-TRP-NMA. Once I have the results I would change only the charges
> of the non-backbone atoms. I suppose that the group I want to change
> should have a total charge equal(but with opposite sign) that the rest
> of
> the TRP. What happend if this group that not satisfy this condition?
> What should I do to make this new aminoacid be neutral?
F.-Y. Dupradeau
--
The Scripps Research Institute, San Diego, CA
Faculte de Pharmacie, UPJV, Amiens, France
--
http://www.u-picardie.fr/labo/lbpd/fyd.htm
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Received on Mon May 17 2004 - 16:53:00 PDT
