TITLE: GB/SA Scoring

EXECUTABLES TESTED:  
	dock6

FUNCTIONS TESTED:
	Master Score Parameters
	Hawkins GB/SA Score Parameters
	
WALL CLOCK TIME:
	  secs

FILES USED:
	hawkins_gbsa.dockin	#hawkins_gbsa scoring (single ligand)
	lig.mol2		#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_AMBER_parm99.defn	#vdw parameter file

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

NOTE: If scoring grids are used for Ecoul the grids should NOT have been prepared using a ddd=4r.

