[gmx-users] plotting displacement of each C-alpha along first eigenvector having largest eigenvalue

[sunita gupta]

hi, all

I have a query that how to do PCA which further includes plotting the
displacement of each C-alpha along first eigenvector having largest
eigenvalue. I read in many articles that this can be done using gromacs. I
did my MD simutaion using charmm forcefield and NAMD. I have converted my
dcd file trr and using g_covar covariance analysis. But i am not getting
anything regarding relevant

Thanking in Anticipation


-- 
SUNITA GUPTA
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