[gmx-users] wham - Bootstraping

Alex alexanderwien2k at gmail.com
Sun Apr 26 20:18:52 CEST 2020


Dear all,
Each windows of a wham analysis is a 30 ns long simulation. And I choose 25
ns of them in gmx wham -b 5000 -nBootstrap 250 -bins 250 -bs-method b-hist
... .

I noticed the below massages in the log file that only 395 , 1854,  and
around 2000 are being evaluated out of 24250 contributions.

Updated rapid wham stuff. (evaluating only 395 of 24250 contributions)
Updated rapid wham stuff. (evaluating only 1854 of 24250 contributions)

Would you please let me know how 395, 1854 ... are being considered for
evaluation? and what do they mean?

Regards,
Alex


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