Subject: Autodock 3.0.5 Torsions

From: "Thomas HENRY" <[email-masked]>
Date: Thu, 21 Nov 2002 14:01:26 +0100 (MET)

Dear CCL members,

I try to use more torsions than 32 in Autodock3. I have changed MAX_TORS in constants.h, but the program returns to me :
"ligand does not fit within grid, while in this orientation !
Trying a new, random-generated rigid body rotation"

And the program can't stop, i must kill it. I am hoping someone could tell
me what I am doing wrong.    

Thank you for your help.

thomas HENRY
University of Lille1 FRANCE
[email-masked]