'Reaction field' diaporamas de présentation

Solvation

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Narayan Ganesan 1 , Sandeep Patel 2 , and Michela Taufer 1 Computer and Info. Sciences Dept. 1

CHARMM-G, a GPU based MD Simulation code with PME and Reaction Force field for Studying Large Membrane Regions . Narayan Ganesan 1 , Sandeep Patel 2 , and Michela Taufer 1 Computer and Info. Sciences Dept. 1 Chemistry and Biochemistry Dept. 2 University of Delaware. Outline.

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The Reaction Field and Image Charge Methods

The Reaction Field and Image Charge Methods. In these approximations we divide the system in two parts 1. an inner region where the atomic charges q are explicitly treated 2. an outer region which is treated as a continuous dielectric medium. The Reaction Field Method. The Image Charge Method.

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