From chemistry-request@ccl.net Sat Jul 25 20:36:27 1992
Date: Sat, 25 Jul 92 19:15:09 -0400
From: jle@world.std.com (Joe M Leonard)
To: chemistry@ccl.net
Subject: MM3 force field terms/interrelationship
Status: R

Me again...

Looking at the out-of-plane term, it seems that a single bond angle
is split for planar-center atoms into an in-plane and out-of-plane
component.  This is relatively straightforward...

In MM3, there are bend-bend and stretch-bend terms - when planar-
center atoms are present, are the "original" angle values used, or
are the in-plane terms substituted in the b-b and s-b terms?  I've
looked at the MM2 I've worked with over the years, and the code's
not clear (or commented, really) - and this kind of stuff isn't well
covered in the literature (for either MM2 or MM3...)

Joe
jle@world.std.com

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