Keyword category:

Electrostatic Potential

DIPY=n.n

Description

When DIPOLE is used to constrain the fitting the of ESP charges, the dipole moment predicted by AMPAC's Coulson analysis is used as the default dipole moment for the fitting. DIPX=n.n, DIPY=n.n, and DIPZ=n.n keywords can be used to over-ride the x, y, and z components of this default dipole moment. DIPX, DIPY, DIPZ can be used individually, since any component of the dipole moment that is not user specified will taken from the default dipole moment.

See also:

ESP, DIPX, DIPZ, DIPOLE.