From: [email-masked] (Donald E. Williams)
Date: Wed, 28 May 1997 11:23:00 -0400

NEW INTERMOLECULAR FORCE FIELD DEVELOPMENT SOFTWARE AVAILABLE

Program nbp (for nonbonded potentials) is a software tool which
derives an optimized intermolecular force field from molecular crystal
and/or molecular cluster data.  Customized force fields can be
developed and optimized from any training set of data.  Nonbonded
potential functions can be of either the (exp-6-1) or (n-6-1) type,
including the possibility of non-atomic sites.  A given element may
be subdivided into several potential types.  Input to the program
is a set of any number of structures encoded in the mpa/mpg
(molecular packing analysis/molecular packing graphics) format.
The force field can also be scaled to one or more energies such
as heats of sublimation or heats of association.

For further information contact:

Dr. Donald E. Williams
Department of Chemistry
University of Louisville
Louisville, KY 40292 USA
email: [email-masked]