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2024-04-26
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2024-04-25
Editing Calculation of eigenvalues and eigenvectors
/carma/ it is : <code> carma -v -cov -eigen -write -proj 1 10 1 CA.dcd CA.psf head -10 carma.eigenvalues.dat > top_eigenvalues ; xmgr top_eigenvalues xmgr -arrange 3 1 -block carma.fluctuations.dat -graph 0 -bxy 1:2 -graph 1 -bxy 1:3 -graph 2 -bxy 1:4 xmgr -arrange 1 3 -block carma.fluctuations.dat -graph 0 -bxy 2:3 -graph 1 -bxy 2:4 -graph 2 -bxy 3:4 </code> giving [[image: projection of CA-motion on 1-2, 1-3, 2-3 eigenvactor planes]] See /carma/'s manual page for more examples.
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