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Article ID: 647 - Last Modified: October 24, 2013

How is 'Eint' calculated for the Glide per-residue interactions? 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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