Hi everyone!
I'm able to compute the principal components of a given trajectory using
PCAsuite.
http://mmb.pcb.ub.es/software/pcasuite/pcasuite.html
Then, I can convert them into pdb files and watch the motions.
PCAsuite also gives me the eigenvalues, so I know which are the most
important.
Now, if I understand correctly, the principal components are some "chosen"
normal modes which summarize the information of the trajectory, but how do
I know which normal mode is associated to each component I get? In
particular, I would like to know what is the associated vibration frequency
of each of the components.
Has anyone tried to obtain something similar?
Thanks a lot!
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Received on Tue Nov 22 2016 - 07:00:06 PST
