Re: CCL:Ab-initio charges for blocked amino-acids



 Hi Dr. Pedersen,
 Have a look to our recent publication (which will be followed by 2 papers
 probably this year):
 Matta,C.F. and Bader, R.F.W. "An Atoms-In-Molecules Study of the
 Genetically-Encoded Amino Acids: I.  Effects of Conformation and of
 Tautomerization on Geometric, Atomic, and Bond Properties".
 PROTEINS: Structure, Function and Genetics Vol.40: 310-329 (2000).
 You may find answers to your questions.
 Take care.
 Cherif
 ___________________________________________________________________________
   Cherif F. Matta                         tel. (905) 525-9140 ext. 22502
   Chemistry Department                    fax  (905) 522-2509
   McMaster University
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   Hamilton, Ontario, CANADA L8S 4M1.                | "Choice not chance
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  Member of the Board of Governors of the University |  destiny". Anonymous
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