Tinker Manual
Introduction
Installation
Force Fields
Features & Methods
Use of the Keyword Control File
Acknowledgements
References
Index Page
GitHub
Twitter
Valence Terms
Bond Stretching
Angle Bending
Stretch-Bend Coupling
Urey-Bradley Potential
Angle-Angle Coupling
Out-of-Plane Bending
Improper Dihedral
Improper Torsion
Torsional Angle
Pi-Orbital Torsional Angle
Stretch-Torsion Coupling
Angle-Torsion Coupling
Torsion-Torsion Coupling
Van der Waals
Permanent Multipole
Induced Dipole
Quasi-Internal Frame
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Force Fields
ΒΆ
Valence Terms
Bond Stretching
Angle Bending
Stretch-Bend Coupling
Urey-Bradley Potential
Angle-Angle Coupling
Out-of-Plane Bending
Improper Dihedral
Improper Torsion
Torsional Angle
Pi-Orbital Torsional Angle
Stretch-Torsion Coupling
Angle-Torsion Coupling
Torsion-Torsion Coupling
Van der Waals
Permanent Multipole
Definitions and Units
Energy, Torque, and Gradient
Induced Dipole
Energy
Gradient
Conjugate Gradient
Polarization Model: AMOEBA (Thole Damping 2)
Quasi-Internal Frame
Rotation Matrix
Multipole Interaction in QI Frame
Details
Charge Terms
Dipole Terms
Quadrupole Terms
Installation
Valence Terms