TinkerTools / tinker

Tinker: Software Tools for Molecular Design

Home Page:https://dasher.wustl.edu/tinker/

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Anisotropic Polarizability

subhajitdan opened this issue · comments

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

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.