Subject: Autodock

From: Sergio Manzetti <sergio.manzetti|at|bio.uio.no>
Date: Mon, 25 Aug 2003 14:20:09 +0200

Hi, I wanted to ask a question to confirm the following:
When I dock testosterone on a protein, I choose the crucial atom in the 
active site as the center of the grid (in the macro.gpf file) and as the 
center to move and rotate about in the lig.macro.dpf file. Still the ligand 
results very far away from this position (up to 8 E) separated by maybe 10 
cubic E of vacuum.
Am i doing something very wrong here?

Thanks

Sergio