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. Author manuscript; available in PMC: 2011 Oct 14.
Published in final edited form as: J Phys Chem B. 2010 Oct 14;114(40):12811–12824. doi: 10.1021/jp105813j

Table 3. Final monomer rmsd measurements after 100ns of dynamics.

Backbone rmsds are given as averages over all 48 protein monomers in each simulation cell; standard deviations in the rmsds obtained for all individual monomers provide error bars.

Monomer RMSD (Å)

Water Model FF99SB FF03 CHARMM22 OPLS

SPC/E 0.61 ± 0.06 0.82 ± 0.14 0.85 ± 0.10 1.22 ± 0.18
TIP3P 0.59 ± 0.07 0.92 ± 0.11 0.91 ± 0.14 1.39 ± 0.22
TIP3P-Ew 0.57 ± 0.04 0.86 ± 0.15 0.82 ± 0.11 1.28 ± 0.28
TIP4P-2005 0.66 ± 0.11 0.86 ± 0.11 0.91 ± 0.10 1.17 ± 0.20