[gmx-users] PMF - error bars

Steven Neumann s.neumann08 at gmail.com
Mon Aug 20 14:47:05 CEST 2012


Dear Gmx Users,

I have output from Umbrella Sampling simulations - PMF curve obtained
by WHAM. I want to create on the plot error bars. I have 20 windows
each corresponding to 80 ns simulation. Shall I create PMF from those
results based for 40-60 ns then 60-80 and plot them? Please help.

Steven



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