Data is a subset of the umbrella simulation run in 10.1371/journal.pcbi.1005663 "Atomisticfingerprintofhyaluronan–CD44binding" by Vuirio et al. Only a subset of the original files was used to reduce file size. Please refer to the publication for more information and original files. wham.out was produced with the following settings: wham --min 0.7 --max 4.5 --bins 100 -T 310 -f metadata.dat -o wham.out --bt 100 --seed 1234