Subject: Non integral total charge in Autodock

From: Antonio Lavecchia <[email-masked]>
Date: Wed, 15 Jan 2003 15:26:52 +0100

Dear All,
when starting an autodock job, I receive the following warning message: 
"non integral total charge (-0,014e) on molecule".
Does anyone know what does it mean and how to avoid it?
Thanks for the attention.

Antonio

ANTONIO LAVECCHIA, PhD
Computational Chemistry
Dept of Pharmaceutical Chemistry
University of Naples
Via D. Montesano, 49
80131 NAPOLI
E-Mail: [email-masked]
Phone: ++39 081 678613/619
Fax:      ++39 081 678644