Subject: Re: MM2: atom type 50

From: [email-masked] (Slawomir Blonski)
Date: Sat, 19 Dec 92 11:03:37 EST

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