Type: Boolean Default: true Definition: Specifies use of the angle bend potential.
Potential Function Selection
angleterm
Details
angtorterm
Details
Type: Boolean Default: true Definition: Specifies use of the angle-torsion potential.
bondterm
Details
Type: Boolean Default: true Definition: Specifies use of the bond stretch potential.
gkterm
Details
Type: Boolean Default: false Definition: Specifies use of generalized Kirkwood electrostatics.
imptorterm
Details
Type: Boolean Default: true Definition: Specifies use of the improper torsion potential.
lambdaterm
Details
Type: Boolean Default: false Definition: Specifies use of the Lambda state variable.
mpoleterm
Details
Type: Boolean Default: true Definition: Specifies use of the fixed charge electrostatic potential. Setting mpoleterm to false also turns off polarization and generalized Kirkwood, overriding the polarizeterm and gkterm properties.
opbendterm
Details
Type: Boolean Default: true Definition: Specifies use of the out-of-plane potential.
pitorsterm
Details
Type: Boolean Default: true Definition: Specifies use of the pi-system torsion potential.
polarizeterm
Details
Type: Boolean Default: true Definition: Specifies use of the polarizable electrostatic potential. Setting polarizeterm to false overrides the polarization property.
strbndterm
Details
Type: Boolean Default: true Definition: Specifies use of the stretch-bend potential.
strtorterm
Details
Type: Boolean Default: true Definition: Specifies use of the stretch-torsion potential.
torsionterm
Details
Type: Boolean Default: true Definition: Specifies use of the torsional potential.
tortorterm
Details
Type: Boolean Default: true Definition: Specifies use of the pi-system torsion potential.
ureyterm
Details
Type: Boolean Default: true Definition: Specifies use of the Urey-Bradley potential.
vdwterm
Details
Type: Boolean Default: true Definition: Specifies use of the vdw der Waals potential. If set to false, all non-bonded terms are turned off.