Potential Function Selection

angleterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the angle bend potential.

angtorterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the angle-torsion potential.

bondterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the bond stretch potential.

gkterm

Type:         Boolean
Default:      false
Definition:   Specifies use of generalized Kirkwood electrostatics.

imptorterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the improper torsion potential.

lambdaterm

Type:         Boolean
Default:      false
Definition:   Specifies use of the Lambda state variable.

mpoleterm

  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

Type:         Boolean
Default:      true
Definition:   Specifies use of the out-of-plane potential.

pitorsterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the pi-system torsion potential.

polarizeterm

  Type:         Boolean
  Default:      true
  Definition:   Specifies use of the polarizable electrostatic potential.
Setting polarizeterm to false overrides the polarization property.

strbndterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the stretch-bend potential.

strtorterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the stretch-torsion potential.

torsionterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the torsional potential.

tortorterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the pi-system torsion potential.

ureyterm

Type:         Boolean
Default:      true
Definition:   Specifies use of the Urey-Bradley potential.

vdwterm

  Type:         Boolean
  Default:      true
  Definition:   Specifies use of the vdw der Waals potential.
If set to false, all non-bonded terms are turned off.