Dear Amber community,
I apologize in advance if this is not the proper place to put this
question.
I have been trying to use the clusterdihedral function to cluster a
trajectory of a ligand according to its three dihedral angles and I notice
two things: The clustering process gives me almost 200 dihedrals if i use a
default of 10 bins and the number of clusters varies wildly with bin
number. Can you please indicate where i can find documentation explaining
how the clustering is performed and how to properly use this tool? Sadly, i
could not find the answer in the manual for Amber18.
Thank you very much.
Gilberto Pereira
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Received on Thu Feb 21 2019 - 01:30:02 PST
