Type: Double Default: (Pi/180)^2 Definition: Sets the scale factor needed to convert the energy value computed by the bond angle bending potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
Energy Unit Conversion
angleunit
Details
angtorunit
Details
Type: Double Default: Pi/180 Definition: Sets the scale factor needed to convert the energy value computed by the angle bending-torsional angle cross term into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
bondunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the bond stretching potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
imptorunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the AMBER-style improper torsional angle potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
opbendunit
Details
Type: Double Default: (Pi/180)^2 Definition: Sets the scale factor needed to convert the energy value computed by the out-of-plane bending potential into units of kcal/mole. " The correct value is force field dependent and typically provided in the header of the master force field parameter file.
pitorsunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the pi-orbital torsional angle potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
strbndunit
Details
Type: Double Default: (Pi/180) Definition: Sets the scale factor needed to convert the energy value computed by the bond stretching-angle bending cross term potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
strtorunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the bond stretching-torsional angle cross term potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
torsionunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the torsional angle potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
tortorunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the torsion-torsion potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.
ureyunit
Details
Type: Double Default: 1.0 Definition: Sets the scale factor needed to convert the energy value computed by the Urey-Bradley potential into units of kcal/mole. The correct value is force field dependent and typically provided in the header of the master force field parameter file.