From chemistry-request@ccl.net Wed Jun 17 15:54:54 1992
Date: Wed, 17 Jun 92 10:49:15 -0700
From: ms@iris43.biosym.COM (Manish Sud)
Subject: MOPAC 6.0 bug?
To: chemistry@ccl.net
Status: R

Using keyword ESP in conjunction with MULLIK in MOPAC 6.0 generates 
excessively large values for the charges - scaled and unscaled - for 
any molecular system; the fix reported in QCPE Bulletin (Vol. 12, No.1
, pp. 5, February, 1992) to write.f doesn't apply.

Has someone else experience this problem; is there any  patch for it? 


Manish Sud

Biosym Technologies, Inc.
9685 Scranton Road
San Diego CA 92121

Email: ms@biosym.com
Phone: (619)546-5584
Fax:   (619)458-0136