non-cyclic 1d test

This commit is contained in:
Daniel Bauer
2020-03-07 21:10:31 +01:00
parent d3a70520df
commit cd7bea063f
707 changed files with 3400420 additions and 226 deletions

12
example/1d/README.txt Normal file
View File

@@ -0,0 +1,12 @@
Data is a subset of the umbrella simulation run in 10.1371/journal.pcbi.1005663
"AtomisticfingerprintofhyaluronanCD44binding" 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