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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Sun Jun 15 2008 - 06:07:37 PDT
