Article ID: 647 - Last Modified: December 4, 2010
How is 'Eint' calculated? What role do the 'vdw', 'coul' and 'hbond' components play in this?
Eint is the sum of the 'vdw' and 'coul' terms. This is a convenient measure of the non-bonded interaction energy. The 'hbond' component is computed separately.
Keywords: Eint, vdw, coul, Glide
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