[gmx-users] PCA mathematical information

edesantis edesantis at roma2.infn.it
Tue Feb 6 11:12:11 CET 2018

Dear gromacs users,

I am a PhD student in biophysics,
I am trying to preform principal component analysis on my simulations 
with the aim to understand if there are present correlated motions 
during the dynamics.

I an not expert of this kind of analysis,
I was studying different tutorials and I saw that it is common to filter 
the trajectory to show only the motion along some eigenvectors  (gmx 
anaig -filt -first -last)

I didn't understand what is the mathematical operation behind this 

any of you can help me?

thank you in advance,
best regards,
Emiliano De Santis

Emiliano De Santis

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