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Example of fit to density for the system from PDB 4F4L. The values for the exponential fit are DI = 1.0341 g/cm3, DF = 1.0582 g/cm3, and k = 0.0121 ps−1. The plot time starts from step 10 of the preparation protocol (31 ps), but the fit was performed with time values shifted to 0. The density plateau criteria were satisfied at 501 ps. The difference of DF to the average of the second half of the density data is 0.0005 g/cm3 and the chi-squared value of the fit is 0.0035.
