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Daniel Bauer a4f3b3091c test bootstrapping
2020-03-08 12:39:41 +01:00
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metadata.dat
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README.txt
test bootstrapping
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wham.out
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README.txt

This file contains ambiguous Unicode characters
This file contains Unicode characters that might be confused with other characters. If you think that this is intentional, you can safely ignore this warning. Use the Escape button to reveal them.
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
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