From slawek %-% at %-% rutile.rutgers.edu Sat Dec 19 11:04:10 1992
Date: Sat, 19 Dec 92 11:03:37 EST
From: slawek: at :rutile.rutgers.edu (Slawomir Blonski)
Message-Id: <9212191603.AA19267- at -rutile.rutgers.edu>
To: CHEMISTRY[ AT ]ccl.net, strasner[ AT ]organik.uni-erlangen.de
Subject: Re:  MM2: atom type 50

I am not familiar with the atom type 50, but there was a problem with inter-
actions between 2 benzene rings using the MM2 force field: the attraction
between benzenes in sandwich configuration was too strong comparing with
the T-shaped dimer. For reference see:

I.Pettersson & T.Liljefors
Journal of Computational Chemistry 8 (1987) 1139

and the next paper in that issue by Allinger and a coworker.

Slawomir Blonski