#####---Correlation Times for dG_Total--##### Window F R 0 5.059 99.606 1 9.683 30.769 2 8.886 34.177 3 20.350 33.238 4 21.080 95.537 5 19.554 76.761 6 19.323 25.157 7 12.621 22.768 8 14.673 11.328 9 24.003 7.892 10 18.368 14.875 11 10.101 33.929 12 12.664 18.828 13 17.196 29.801 14 26.411 35.277 15 28.853 31.539 16 12.820 17.574 17 12.716 10.931 18 22.452 17.069 19 20.483 5.884 #####---BAR estimator for dG_Total---##### Window dG ddG Uncert. --------------------------------------------------------- 0 0.3204 0.3204 +- 0.0276 1 0.6261 0.3058 +- 0.0437 2 0.9447 0.3185 +- 0.0365 3 1.2443 0.2996 +- 0.0478 4 1.6383 0.3940 +- 0.0565 5 1.9814 0.3431 +- 0.0667 6 2.1225 0.1411 +- 0.0471 7 2.2539 0.1314 +- 0.0404 8 2.2907 0.0368 +- 0.0492 9 2.1980 -0.0927 +- 0.0421 10 2.7865 0.5885 +- 0.0228 11 3.3641 0.5775 +- 0.0259 12 4.0871 0.7230 +- 0.0313 13 4.8079 0.7208 +- 0.0348 14 5.4604 0.6525 +- 0.0490 15 6.1071 0.6467 +- 0.0647 16 6.6797 0.5726 +- 0.0465 17 7.3170 0.6373 +- 0.0494 18 7.5287 0.2117 +- 0.0984 19 6.0988 -1.4299 +- 0.4814 Net dG_Total energy difference = 6.0988 +- 0.5273 kcal/mol Plotting probability distributions... Plotting free energies...