From chemistry-request@ccl.net Thu Jun 25 16:24:21 1992
Date: Thu, 25 Jun 92 14:53:20 -0400
From: jle@world.std.COM (Joe M Leonard)
Subject: Sybyl FF followon
To: chemistry@ccl.net
Status: RO

Before I get flamed for forgetting the underlying physics...

Granted, the VdW term "covers" dispersion forces (which makes
neg E terms ok), but...

1) Is the force field able to "accurately" treat these - i.e. is the
   VdW cutoff a computational or a methodological requirement?

2) What is a reasonable cutoff - the paper lists 8 A, but should
   this be lower/higher?

3) Has the FF changed/evolved since the paper?

*sigh* I guess I should check deeper into the library before posting...

Joe Leonard
jle@world.std.com

P.S. The asbestos undies still fit... :-)