MBG wiki | RecentChanges | Blog | 2021-10-20 | 2021-10-19

Calculation of eigenvalues and eigenvectors

Difference (from prior major revision)

Changed: 3c3

< carma -v -cov -eigen -proj 1 10 1 CA.dcd CA.psf

to

> carma -v -cov -eigen -write -proj 1 10 1 CA.dcd CA.psf


carma it is :

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

giving

 projection of CA-motion on 1-2, 1-3, 2-3 eigenvactor planes

See carma's manual page for more examples.