Dear Amber Developers and users,
Would you tell me algorithm which ptraj uses for solvation of eigen-value
problem,
More specifically, for principal component analysis.
I encounter some curious situation;
The last eigen vector, whose eigen value is smallest, is quite similar
Between two different systems, apo-Protein and holo-Protein.
The var-covar matrix are calcualted in terms of Ca atom of protein for each
system,
Where structure is previously fitted on the same reference structure, of course.
Then, I obtained inner products for any pair of eigen vectors.
The pair of 306th eigen vectors showed comparbly higher values, > 0.86.
Is this phenomenon due to the algolithm implemented in ptraj?
On the other hand, does the last eigen vector tend to take
Some specific direction in ptraj?
Yours sincerely,
Ikuo KURISAKI
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Received on Fri Feb 15 2013 - 01:30:03 PST
