Subject: MM3(94) Bug

From: "David B.Turner" <[email-masked]>
Date: Fri, 3 Jul 1998 15:13:51 +0100

Has anyone come across the following bug in MM3(94)? 

I have found that the built-in parameter generator loops
infinitely when supplied with a compound containing
a 3-membered cyclic ring C1NC1 (SMILES). The missing 
parameters appear to be calculated and written to file 
repeatedly. I left a batch submission to MM3 running 
overnight and found a 7 _Gb_  .MM3 file on disk the
following a.m.

Is this a known bug?

David Turner

Dr David B. Turner
Dept. of Information Studies
University of Sheffield,
Sheffield S10 2TN
UK
Tel.: 0114 2222 650   Fax.: 0114 2780 300
E-mail: [email-masked]