Re: CCL pcff91, cff91 ...

[pcm[ AT ]usmps550.psrc.usm.edu (Phillipe Camelio)]

  Hey,
  PCFF91 is an extension of CFF91, ie it is normal
  that you find the same results using both :)
  The only reference I have for PCFF is the Biosym manual itself :(
  but I have some references on CFF91/93.
  [ AT ]String{jcc = "J. Comp. Chem."}
  [ AT ]String{macro = "Macromolecules"}
  [ AT ]String{jacs = "J. Am. Chem. Soc."}
  [ AT ]String{jpc = "J. Phys. Chem."}
  [ AT ]article{PCFF1,
     author    = {J.A. Maple and M.J. Hwang and T.P. Stockfisch and U. Dinur and
 M
  . Waldman
         C.S. Ewig and A.T. Hagler},
     journal   = jcc,
     year      = {1994},
     volume    = {15},
     pages     = {162}
  }
  [ AT ]article{PCFF2,
     author    = {M.J. Hwang and T.P. Stockfisch and A.T. Hagler},
     title     = {Derivation of Class II Force Fields. 2. Derivation and
 Character
  ization of a Class II Force Field, CFF93,
         for the Alkyl Functional Group and Alkane Molecules},
     journal   = jacs,
     year      = {1994},
     volume    = {116},
     pages     = {2515--2525},
     annote    = {Classeur A, Champ de Force}
  }
  [ AT ]article{PCFF3,
     author    = {H. Sun and S.J. Mumby and J.R. Maple and A.T. Hagler},
     title     = {An ab Initio CFF93 All-Atom force Field for Polycarbonates},
     journal   = jacs,
     year      = {1994},
     volume    = {116},
     pages     = {2978--2987},
     annote    = {Classeur A, Champ de Force}
  }
  [ AT ]article{PCFF4,
     author    = {H. Sun},
     journal   = jcc,
     year      = {1994},
     volume    = {15},
     pages     = {7}
  }
  [ AT ]article{PCFF5,
     author    = {H. Sun},
     journal   = macro,
     year      = {1995},
     volume    = {28},
     pages     = {701}
  }
  [ AT ]article{PCFF6,
     author    = {J.-R. Hill and J. Sauer},
     title     = {Molecular Mechanics Potential for Silica and Zeolite Catalysts
         Based on ab Initio Calculations. 1. Dense and Microporous Silica},
     journal   = jpc,
     year      = {1994},
     volume    = {98},
     pages     = {1238},
     annote    = {Classeur B, Champ de Force}
  }
  I hope this will be helpful,
  Cordially
  Philippe Camelio
  Lab. de Stereochimie, Marseille, France
  E-mail: sophie[ AT ]ms5342u02.u-3mrs.fr
  WWW:    http://www.u-3mrs.fr/people/PCamelio