AMBER parameter database

["Dr Richard Bryce" <rbryce { *at * } fs1.pa.man.ac.uk>]

 I would like to announce to computational chemists using AMBER
 the creation of an AMBER parameter database service. I've already
 compiled a limited number of published AMBER parameters for
 some molecules and residues - including the cofactor, FMN and a
 nucleotide-sugar, GDP- mannose.  These are available for users to
 download. The URL is
 pharmacy.man.ac.uk/amber
 In addition to OFF/PREP, FRCFLD/FRCMOD files, and information
 about the developers (name/website/etc.), a literature reference is
 also provided with the parameters to stress that these parameters
 should be used carefully.  However, it is anticipated that the
 archived files will provide a useful starting point for other studies
 and parametrization of similar molecules.
 Only a very basic selection of molecules are currently contained by
 the database.  For the service to be of most benefit, it would be
 really useful if groups who have developed parameters could submit
 these parameters to the database (by emailing me at
 r.a.bryce { *at * } man.ac.uk), providing a PREP or OFF file, FRCMOD or
 FRCFLD file, a literature reference and information about
 themselves.
 Examples of parameters that would be useful to add to the
 database include special residue types, such as anionic cysteine,
 or selenocysteine, unusual nucleic acids, organic compounds,
 drug-like molecules with functionality not already covered by the
 standard Cornell et al. parm9x.dat force field.
 I hope this service will be of use to people, and would appreciate
 your comments and suggestions.
 Richard
 ______________________________________________________
  Richard A. Bryce
  School of Pharmacy and Pharmaceutical Sciences,
  University of Manchester, Manchester, M13 9PL, U.K.
  Tel:(+44) (0)161 275 8345 Fax: (+44) (0)161 275 2481
  http://pharmacy.man.ac.uk/rab
  R.A.Bryce { *at * } man.ac.uk
 ______________________________________________________