[gmx-users] MBAR bootstrap

Thanh Le thanh.q.le at sjsu.edu
Wed Jan 10 04:01:55 CET 2018

Hi everyone, 
I have a question regarding using bootstrap for MBAR.
After running 30 windows for the complex and 20 windows for the ligand, 100 ns each, I have a problem trying to do bootstrap (based on what I have read, bootstrap sampling is recommended to analyze results from MBAR)
Can anyone point me to the correct direction to implement bootstrap? Or any advice on how to analyze MBAR?
Thanh Le

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