I'm looking for a way to run the Weighted Histogram Analsys Method, but I don't have a time series to feed to the code as one would usually do, but rather I have histograms coming from the de-biasing of a metadynamics simulation. Does anyone know of any code that can do that?

  • $\begingroup$ Welcome to our site. $\endgroup$
    – Camps
    Aug 7 '20 at 10:27
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    $\begingroup$ If the histograms are already unbiased, all you have to do is take the log of the histogram and multiply by the appropriate prefactor (-kT). $\endgroup$
    – jjgoings
    Aug 8 '20 at 21:16
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    $\begingroup$ Yes but they will be all shifted by a constant C, which is different for every one of them. So wham find the optimal alignment of the fes coming from every histogram and "sew" them together. I was wondering if there was a code that did that already starting from the histograms. $\endgroup$ Aug 10 '20 at 8:47
  • $\begingroup$ @user3458909 Ah, you are right, good point! In that case, I'm not aware of any code that will take histograms as raw input. $\endgroup$
    – jjgoings
    Aug 12 '20 at 18:48
  • $\begingroup$ If you post on twitter and tag @StackMatter we can re-tweet for you. Also if you tag the authors of people you think might know the answer, it will help. It worked for this question: mattermodeling.stackexchange.com/questions/1921/… As you see that the main developer of the software answered, and then someone also got their grad student to answer, both of them were not users of this site before, and both of them interacted with this tweet: twitter.com/StackMatter/status/1291159713636405249 $\endgroup$ Sep 26 '20 at 20:31