Computational Chemistry 2.10 - MM Electrostatics Terms
Short lecture on electrostatics energy terms in molecular mechanics.
For each pair of non-bonded atoms in molecular mechanics, the electrostatics term is the product of the atomic partial charges divided by [ 4 pi epsilon_nought r12 ], where r12 is the interatomic distance. An atomic partial charge parameter is necessary for every atom.
Notes Slide: http://i.imgur.com/ZGQEtfH.png
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