MOZYME calculations run somewhat faster when some
overlap integrals are ignored. By
default, all overlap integrals involving atoms separated by 7.0 Ångstroms or
more are ignored. For rough work, such as optimizing a structure that is far from a
minimum, if CUTOFS=n.nn is used, then overlap integrals
involving atoms separated by n.nn Ångstroms or more will be ignored.
A significant increase in speed and reduction in memory can be obtained using