
Panels A–E show evolution of the spectrum of the simulated ensemble for 2MIY as a function of μ in units of kBT. The most probable graph in each is shown in pink, and its frame graph on the right. (F) Entropy of the ensemble in units of kB as a function of the chemical potential. The nonmonotonic behavior indicated by the white circles suggests possible sampling ergodicity issues. The dashed line is a guide to the eye.










