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TinkerTools / tinker

Tinker: Software Tools for Molecular Design
https://dasher.wustl.edu/tinker/
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Anisotropic Polarizability #133

Closed subhajitdan closed 8 months ago

subhajitdan commented 1 year ago

How to use anisotropic polarizability for oxygen and hydrogen in our simulation?

jayponder commented 1 year ago

The short answer is that Tinker does not support anisotropic atomic polarizabilities.

The polarizable force fields in Tinker (AMOEBA, AMOEBA+, HIPPO, etc.) all use damped polarization, such as the Thole model, that effectively provide anisotropic polarizability.