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. Author manuscript; available in PMC: 2019 Jul 5.
Published in final edited form as: J Phys Chem B. 2018 Jun 21;122(26):6673–6689. doi: 10.1021/acs.jpcb.8b02144

Figure 9. Global correspondence between simulation and experiment as assessed by the χ2 statistic.

Figure 9

Each plot shows the χ2 distribution (black curves) for the degrees of freedom associated with each comparison (8 degrees of freedom for EnHD, left; 5 degrees of freedom for RNase H, right). The vertical lines denote the χ2 value calculated for each force-field/software package combination (AMBER, red; GROMACS, green; ilmm, purple; NAMD, blue) as well as the expectation value for that distribution (black).