Subject: Problem about Using Autodock3.0

From: Wong Lai Ho <[email-masked]>
Date: Wed, 2 Oct 2002 20:23:48 +0800 (HKT)

Dear all,
I have encountered few problems when I was using Autodock3.0.
1,When I perform calculations involing Autogrid, it always complains with 
the following message:
"WARNING!  Atom type error, can't find type for "-1.2" in typelist
"CNOSHXM"."
It will give result eventually, but are these results reliable?
(If no, how can I fix it?)
2,I have docked a ligand to two proteins with similar structure and active 
site.(They are the same protein but coming from different animals). I 
visualize their structural result with CERIUS2. Although they 
are similar, their final docked energy is very different(-11.7 and 74.5 
kcal/mol respectively). Does any users have similar experience and how do 
you deal with that?
I am grateful if you can provide some solutions. Thanks a lot.
Yours Sincerely,
Larry Wong