Subject: AutoDock questions ?

From: Alexander Klinsky <[email-masked]>
Date: Sat, 2 May 1998 10:44:33 +0200 (MSZ)

Dear Colleaques !

We are currently doing some docking analysis on HIV Reverse Transcriptase 
inhibitors and are facing some problems while using AutoDock 2.4:

First, does anybody know which force field autodock uses to calculate 
energies and so on.
This question arises because we have some crystall structures and are 
able to reproduce these data with Autodock but when we rotate and/or 
rotate the ligand we cannot reproduce it anymore `????

Can somebody help please

Kind regards,

Alexander Klinsky
Inst. of pharm. chemistry
University of Vienna
Austria