Tinker9 70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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Valence potential energies. More...
Modules | |
Bond | |
Bond stretching. | |
Angle | |
Angle bending and Out-of-Plane bend. | |
Stretch-Bend | |
Stretch-bend cross term. | |
Urey-Bradley | |
Urey-Bradley term. | |
Torsion | |
Torsion, improper torsion, improper dihedral, Pi-orbital torsion coupling, stretch-torsion coupling, angle-torsion coupling, and torsion-torsion coupling. | |
Restraint | |
Geometric Restraints. | |
Functions | |
void | tinker::evalence (int vers) |
Valence potential energies.
void tinker::evalence | ( | int | vers | ) |
Computes the total valence potential energy.