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Comparison of the radial distribution functions (RDFs) between selected heavy atoms of alanine dipeptide and oxygens of water molecules at 300 K. RDFs from REM, SREM, and SREMshift simulations are plotted in black, red, and green, respectively. The selected heavy atoms are indicated in the legends. The SREM and SREMshift results are averaged over 16 independent runs.
