Hello,
I measured the distance between two centers of mass during a MD run using gmx distance. Even though the -oall file shows me that the distance changed over time the histogram file -oh puts 100% of probability on the last bin.
As this makes no sense does anyone have an idea on what happened?
Both files are attached
Thank you very much in advance and have a nice day!
Matthew S Bluma
try adding the -len flag for the mean distance you are expecting and add the -binw flag for the bin width so you have less bins. It seems like it only makes so many bins and then last bin will have 100% probability if all the prior bins are unfilled. So for my example i had a distance of 5.1nm and i set the average to 3 and the binw to 0.1 like this -len 3 -binw 0.1
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