TITLE: GB/SA and PB/SA Grid generation

EXECUTABLES TESTED: 
	grid 
	nchemgrid_GB
	nchemgrid_SA	
	
WALL CLOCK TIME:
	6.41 secs

FILES USED:
	sgrid.in		#input file for grid
	box.pdb			#coordinates for box needed for grid, 
					nchemgrid_GB, and nchemgrid_SA
	rec.mol2		#structure file used to create sgrid
        rec.pdb                 #structure file used to create zou_grid
	vdw.defn		#vdw parameter file used to create grid
	prot.table.ambcrg.ambH	#charge parameter file used to create zou_grid
	vdw.parms.amb		#vdw parameter file used to create zou_grid
	
	nchemgrid_GB/
		INCHEM		#input file for nchemgrid_GB		
		cavity.pdb	#empty (but required)

	nchemgrid_SA/
		INCHEM		#input file for nchemgrid_SA
	
FILES GENERATED:
	sgrid.bmp		#bump grid file
	sgrid.nrg		#energy grid file
	
	nchemgrid_GB/
		inva		#debugging file with inverse Born radius for 
					receptor atoms
		NEG_INVA	#error file listing embedded receptor atoms
		OUTCHEM		#restatement of input parameters; messages 
					pertaining to calculation of the grids
		OUTPARM    	#messages pertaining to parameterization of 
					receptor atoms; net charge on the 
					receptor molecule including any ions 
					or waters in the receptor pdb file
    		PDBPARM    	#shows which parameters have been associated 
					with each atom in the receptor pdb file
		screen.para	#file that contains descreening parameters
		zou_grid.bmp	#bump grid
		zou_grid.rec	#xyz coordinates, effective charge, effective 
					vdw radii, inverse Born radii, and 
					descreening parameters for receptor
		zou_grid.sol	#flags for whether receptor atoms are solvated
		zou_grid.vdw	#vdw values for receptor

	nchemgrid_SA/
		OUTCHEM		#restatement of input parameters; messages 
					pertaining to calculation of the grids
		OUTPARM    	#messages pertaining to parameterization of 
					receptor atoms; net charge on the 
					receptor molecule including any ions 
					or waters in the receptor pdb file
    		PDBPARM    	#shows which parameters have been associated 
					with each atom in the receptor pdb file
		zou_grid.bmp	#bump grid
		zou_grid.sas	#xyz coordinates, effective vdw radii, vdw type,
					number of spherical grid points, and 
					polarity type for each receptor atom
		zou_grid.sasmark#information about grid spacing, coordinates, 
					dimensions, etc
