[gmx-users] number of windows in PMF

[Rebeca García Fandiño]

Hello,
I am trying to calculate the binding energy between two monomers in three different dimers, using PMF (Umbrella Sampling method) and following Justin's tutorial.
Using 100 windows separated 0.05 nm I get the PMFs represented in "pmf_using_100_points.pdf" (attached), and using 50 windows separated 0.1 nm I get different PMF results, represented in "pmf_using_50_points.pdf"
How is it possible to obtain so different results depending on the number of windows used in the Umbrella Sampling Calculation?
Any help is appreciated. 
Thanks a lot in advance!
Best wishes,
Rebeca.

Dr. Rebeca Garcia 
Santiago de Compostela University
Spain

 		 	   		  
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