[AMBER] Modes associated to the principal components?

From: The Cromicus Productions <thecromicusproductions.gmail.com>
Date: Tue, 22 Nov 2016 09:54:45 -0500

Hi everyone!
I'm able to compute the principal components of a given trajectory using
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

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!
AMBER mailing list
Received on Tue Nov 22 2016 - 07:00:06 PST
Custom Search