AMBER Archive (2008)

Subject: AMBER: Question for how to get all eigenvalues by "analyze matrix"

From: Qi Yan (kid1412_at_uab.edu)
Date: Wed Jun 11 2008 - 16:34:40 CDT

Hi,All:

I want to calculate the percentage of the first 10 eigenvectors. Amber
manual said that setting "thermo" flag and vecs=0 can result in
calculating all eigenvalues, but no eigenvectors. However, when trying
the following input file, it didn't work well.

rms first @CA
matrix mwcovar name mwcvmat @CA out mwcvmat.dat
analyze matrix mwcvmat out eigen_covar.dat thermo vecs 0

Does anybody point me out how to calculate all eigenvalues?

Thanks in advance,

Qi

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