From chemistry-request%!at!%ccl.net Fri Apr 17 19:22:21 1992
Date: Fri, 17 Apr 92 17:56:25 -0400
From: mckelvey -A_T- Kodak.COM
Subject: ampac/mopac geometry optimisation problems......
To: osc -x- at -x- Kodak.COM
Status: R


It is easy to fix this problem...
	1. Use "EF" in mopac...we've never had a problem with this in 
	   MOPAC.

	2. In FLEPO you can fix the problem by reducing the variable DEL
	   by a factor of 10 andrestore the previous geometry. This
	   has ALWAYS worked for us.

John McKelvey
Eastman Kodak