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. Author manuscript; available in PMC: 2014 Jan 1.
Published in final edited form as: Comput Phys Commun. 2012 Aug 14;184(1):19–26. doi: 10.1016/j.cpc.2012.08.003

Table 3.

Magnitudes of the first density minima in the computed RDFs.

TINKER - ICSM TINKER - PME ICSM
30 Å 0.864 0.866 0.858
45 Å 0.880 0.881 0.876
60 Å 0.900 0.901 0.897