I don't know in advance which of them are redundant; moreover I am surprised if 
better scan of configuration space is something weird. Anyway I removed some 
windows (see histograms here 
http://picasaweb.google.ca/117558205101329348732/G_wham#5511287294315721970) 
and now PMF profile is 0.000000e+00 anywhere along z... Any ideas?  
Alex  
  
    
Looks to me like your windows overlap too much - there is complete redundancy 
in  
many of them, such that it looks like several of your windows are completely  
unnecessary. See the example histogram in the PMF tutorial for a more "normal"  
histogram.  
  
-Justin      
  
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