[gmx-users] g_wham Error bars

[Raphael Alhadeff]

Hello everyone,

I wanted to ask if anyone knows how to compute standard deviation, for the sake of adding error bars to an energy profile output using g_wham (PMF using umbrella sampling in my case).

Just to clarify, I am talking about the deviation of the energy profile on ONE simulation (composed of 25 "windows" in my case, with overlap but no repeats).

Thanks in advance,
Raphael




      
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