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. 2011 Mar 22;6(1):249. doi: 10.1186/1556-276X-6-249

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Copyright ©2011 Chiavazzo and Asinari; licensee Springer.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Color online. Several setups have been tested where some of the interaction potentials (8), (9), (10), and (11) are omitted. BADLJ: V_b, V_an, V_rb, and V_nbare considered. BAD: V_b, V_an, V_rbare considered. BA: V_band V_anare considered. Bw denotes that V_bis computed with a smaller force constant = 42000 kJ·mol^-1·nm^-2according to [30].

Inline graphic — Color online. Several setups have been tested where some of the interaction potentials (8), (9), (10), and (11) are omitted. BADLJ: V_b, V_an, V_rb, and V_nbare considered. BAD: V_b, V_an, V_rbare considered. BA: V_band V_anare considered. Bw denotes that V_bis computed with a smaller force constant = 42000 kJ·mol^-1·nm^-2according to [30].