bauer/WHAM
1
0
Fork 0
mirror of https://github.com/dnlbauer/WHAM.git synced 2026-09-10 22:25:31 +00:00
Code Issues Packages Projects Releases Wiki Activity

report standard error (SE) instead of standard deviations

Browse Source
This commit is contained in:
Daniel Bauer
2020-09-15 14:09:36 +02:00
parent 7116142c2a
commit 1e27cfd457
5 changed files with 198 additions and 197 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
README.md
View File

@@ -81,8 +81,8 @@ one can estimate the error as standard deviation between the N bootstrapping run
Autocorrelation Estimates, JCTC, 6(12), 3713-3720*.
To perform bayesian bootstrapping in WHAM, use the ```-bt <RUNS>``` flag to perform <RUNS> individual bootstrapping
runs. The error estimates of bin probabilities and free energy will be given as separate column (+/-) in the output file.
If no error analysis is performed, these columns are set to 0.0.
runs. The error estimates of bin probabilities and free energy will be given as standard error (SE) in a
separate column (+/-) in the output file. If no error analysis is performed, these columns are set to 0.0.
Examples
---