Subject: CCL:Resp charge-fitting program free

From: <[email-masked]>
Date: Fri, 29 Mar 1996 15:26:58 -0800 (PST)

The Resp program (Restrained ElectroStatic Potential) [1,2]
used for deriving charges for the Cornell et al. "new AMBER" 
force field [3] is now freely available at our web and ftp sites:

  http://www.amber.ucsf.edu/amber/
  ftp://odin.ucsf.edu/pub/amber/resp.tar.Z

Included in the tar are a new utility program with instructions 
by James Caldwell to simplify getting the input ESP grid from
Gaussian94, and a script and instructions for use with GAMESS
contributed by Hans De Winter.

Bill Ross

   [1]  A Well-Behaved Electrostatic Potential Based Method Us-
ing Charge Restraints For  Determining  Atom-Centered  Charges:
The  RESP  Model,''  C.I.  Bayly, P. Cieplak, W.D. Cornell, and
P.A. Kollman, J. Phys. Chem. 1993, 97, 10269.

   [2] Application of RESP Charges to Calculate  Conformational
Energies,  Hydrogen  Bond Energies, and Free Energies of Solva-
tion,''  W.D. Cornell, P. Cieplak, C.I. Bayly, and  P.A.  Koll-
man,  J. Am. Chem. Soc. 1993, 115, 9620.

   [3] Cornell, W.D., Cieplak, P., Bayly,  C.I.,  Gould,  I.R.,
Merz,  Jr.  K.M.,  Ferguson,  D.M.,  Spellmeyer, D.C., Fox, T.,
Caldwell, J.W., Kollman, P.A.  J. Am. Chem. Soc. 117, 5179-5197
(1995).