Tinker9 User Manual
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Permanent Multipole
Induced Dipole
Quasi-Internal Frame
Electrostatics
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Permanent Multipole
Definitions and Units
Energy Torque 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
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Permanent Multipole