Computational Chemistry 2.9 - MM van der Waals Terms

Published: 16 March 2017
on channel: TMP Chem
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Short lecture on van der waals energy terms in molecular mechanics.

For each non-bonded pair of atoms in a system, the van der waals energy is the interaction strength (epsilon) times the van der waals radius divided by the interatomic distance to the 12th power minus 2 times the same quantity to the 6th power. Each van der waals pair requires two empirical parameters.

Notes Slide: http://i.imgur.com/NLe4ykL.png

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