nbrhood_cutoff 5.0 ! near neighbors cutoff for bond calculations in A It corresponds to the vlbora control parameter, 5.0 Angstrom by default

hbond_cutoff 7.5 ! cutoff distance for hydrogen bond interactions Reaxff uses a hard-coded cutoff distance of 7.5 Angstrom.

bond_graph_cutoff 0.3 ! bond strength cutoff for bond graphs It corresponds to the cutof3 control parameter, 0.3 by default.

thb_cutoff 0.001 ! cutoff value for three body interactions It corresponds to the cutof2 control parameter, 0.001 by default. In reaxff there is an additional cutoff, 0.00001, for a product of the bond orders of the two bonds making up the angle.