Subject: Summary of Force Field construction

From: "Mary O'Connor" <[email-masked]>
Date: Fri, 17 May 2002 11:50:51 -0400

Thanks to everyone who replied:
     Fabien Fontaine: info is given at
www.amber.ucsf.edu/amber/amber.html

      Jeff Nauss gave the following references:
       Hwang,M.-J. et al. 1994. JACS 116:2515-25.
        Cornell,W.D. et al. 1995. JACS: 117:5179-5197
         Halgren,T.A. 1996. J.Comp. Chem. 17:490-519
        MacKerell,A.D. Jr. et al. 1998. J. Phys. Chem B. 102:3586-3616
And the book by Andrew Leach-Molecular Modelling-Principles and
Applications.

        Per-Ola Norrby has written or co-authored several papers and
reviews:
          Coord. Chem. Rev. 2001.212:79-109
           J.Comput. Chem.1998. 19:1146-1166
            "Recipe for an organometallic force field" in Computational
Organometallic Chemistry (ed. T. Cundari, Marcel Dekker NY,2001. pp
7-37)
          Dr. Norrby has a website:http://compchem.dfh.dk/PeO/
          And recommended the following books
          Cramer:Essentials of Computational Chemistry. John
Wiley,2001/2 (very recent)
           Jensen: Introduction to Computational Chemistry. John Wilet,
1999.
           Goodman: Chemical Applications of Molecular
Modelling.1998.RCS.

This information is greatly appreciated!

Mary O'Connor,Ph.D.
Rutgers University
New Brunswick,NJ