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. Author manuscript; available in PMC: 2009 Feb 13.

Published in final edited form as: J Phys Chem B. 2007 Mar 30;111(16):4116–4127. doi: 10.1021/jp068549t

(a) The geometry of three-particle correlations between CG sites relevant to the MS-CG equations is schematically illustrated. (b) Excluded volume effects define a cone of small angles $θ_{i_{α}; j_{β} k_{γ}} \leq θ_{i_{α}; j_{β} k_{γ}}^{*}$ that is not sampled during MD simulations.

(a) The geometry of three-particle correlations between CG sites relevant to the MS-CG equations is schematically illustrated. (b) Excluded volume effects define a cone of small angles $θ_{i_{α}; j_{β} k_{γ}} \leq θ_{i_{α}; j_{β} k_{γ}}^{*}$ that is not sampled during MD simulations.