[gmx-users] Bootstrapping using g_wham
rainy908 at yahoo.com
Thu Jun 14 23:51:07 CEST 2012
I am currently using bootstrapping in g_wham to estimate the uncertainty in my PMF. I use a number of 1000 bootstraps.
-ip gwham.dat \
-bins 5000 \
-hist histo.xvg \
-bsres bsResult.xvg \
This process has been running on 1 node for the past 4 days straight, and I am not sure when it will ever finish. Should I be concerned?
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