MM3 force field terms/interrelationship
- From: jle %!
at !% world.std.com (Joe M Leonard)
- Subject: MM3 force field terms/interrelationship
- Date: Sat, 25 Jul 92 19:15:09 -0400
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...)
jle %! at !% world.std.com
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