[AMBER] About clusterdihedral

From: Gilberto Pereira <gilberto.pereiraportugal.gmail.com>
Date: Thu, 21 Feb 2019 10:06:47 +0100

Dear Amber community,

I apologize in advance if this is not the proper place to put this

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
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