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. Author manuscript; available in PMC: 2013 Dec 5.
Published in final edited form as: J Comput Chem. 2012 Jul 23;33(31):2451–2468. doi: 10.1002/jcc.23067

Figure 7.

Figure 7

Samplings of the distances between hydrogen bonding donor oxygen atoms and acceptor hydrogen atoms during the simulation. Probability distributions are also shown on the right side of each plot. For the N-H1…O=S interaction pair, as there are two oxygen atoms in sulfonyl group, the shorter distance at each time step was used.