This directory contains a docking example that will demonstrate 
Amber score in DOCK6, and flexible ligand, minimization, and MD 
using implicit solvent model, GB/SA and AMBER force field.  
The demo is meant to provide an idea of how the dock 
programs work.  The values selected for the example are customized 
for this case, and may not be the best values for all dockings.

Devleena Shivakumar 06/15

                             --- * ---

script_demo             This script executes the various steps in the
                        demonstration.  The entire demonstration can 
			take a while, especially the MD simulation step.

t4lys/                  This directory contains receptor and ligand
                        coordinate files for M102Q/L99A T4 Lysozyme.


script_clean            This script cleans up (removes) the various files
                        generated during the demonstration.

For more information about the steps involved in generating these files,
go to the tutorials located on the DOCK Web site at 
http://dock.compbio.ucsf.edu/DOCK_6/index.htm. 

Note: More Amber Score demos will be added later. 

