RBT_PARAMETER_FILE_V1.00
TITLE R_1YET
RECEPTOR_FILE R_1YET_protein.mol2
RECEPTOR_TOPOL_FILE 1YET_for_viewer.psf
RECEPTOR_COORD_FILE 1YET_for_viewer.crd
RECEPTOR_FLEX 3.0
RECEPTOR_DIHEDRAL_STEP 10.0

SECTION LIGAND
        TRANS_STEP 2.0
        ROT_STEP 30.0
	TRANS_MODE FREE
	ROT_MODE FREE
END_SECTION

SECTION SOLVENT
	FILE P_1YET_watx_cav.pdb
	TRANS_STEP 0.1
	ROT_STEP 10.0
	MAX_TRANS 0.5
	MAX_ROT	30.0
END_SECTION

SECTION MAPPER
        SITE_MAPPER RbtLigandSiteMapper
        VOL_INCR 0.0
        GRIDSTEP 0.5
        RADIUS 6.0
        REF_MOL 1YET_c.sd
        SMALL_SPHERE 1.0
        TRACE 1
        MIN_VOLUME 100
        MAX_CAVITIES 1
END_SECTION

SECTION CAVITY
        SCORING_FUNCTION        RbtCavityGridSF
        WEIGHT                  1.0
END_SECTION
