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. Author manuscript; available in PMC: 2013 Sep 20.
Published in final edited form as: J Phys Chem Lett. 2012 Aug 28;3(18):2604–2610. doi: 10.1021/jz3010688

Fig. 2.

Fig. 2

Test systems: a) system 1: water tetramer in which one water w1 is assigned as molecule A and three waters (w2-w4) as molecule B and b) system 2: Ace-Ala-NMe and a water molecule. Dotted ellipses indicate the non-overlapping centers and rectangles the corresponding model molecules. The interatomic distances between heavy atoms connected by dashed lines are shown in Å.