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Updated: Jun 18, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Development and application of external electric fields for advanced polarizable force fields
Moses K J Chung1, Rebecca A Bone2,3, Zhi Wang1
1Department of Chemistry, Washington University in St. Louis, St. Louis, Missouri 63130, USA.
Abstract:
External electric fields can dramatically alter the structure and dynamics of molecules and materials. The electric field response involves both the direct electrostatics and the polarization of the molecule. The polarization term is not included in non-polarizable force fields, yet it is essential for correctly describing the response. Here, we implement static and oscillating external electric fields in the Tinker molecular dynamics software for use with polarizable force fields. We demonstrate the implementation through dielectric spectra of water, dielectric spectra of an aqueous glucose solution, and trajectory analysis of an amyloid beta protein.
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