TITLE: Contact Scoring

EXECUTABLES TESTED:  
	dock6

FUNCTIONS TESTED:
	Master Score Parameters
	PBSA Score Parameters
	
WALL CLOCK TIME:
	  secs

FILES USED:
	pbsa1.dockin		#pbsa scoring (single)
	pbsa2.dockin		#pbsa scoring at a distance(library)
	lig.mol2		#ligand structure file
	multi_lig.mol2		#multiple ligand structure file
	rec.mol2		#receptor structure file
	chem.defn		#chem parameter input file
	flex.defn		#flex atom definition file
	flex_drive.tbl		#flex torsional drive file
	vdw.defn		#vdw parameter file used to create grid

	../grid_generation/	
		grid.bmp	#bump grid
		grid.nrg	#energy grid for vdw values

FILES GENERATED:
	XXX_scored.mol2		#best scoring pose from input file	

NOTE:  grid_generation must be run first
