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PMFs for disaccharide and trisaccharide from US/H-REMD. The blue line is the unoccupied pore radius obtained from CHARMM, plotted with decreasing width toward the top. The error bars are standard deviations calculated from 100 bootstrapped PMFs. In this and all subsequent figures, the disaccharide and trisaccharide are denoted by “disa” and “trisa,” respectively.
