On Thu, May 24, 2007, nadiav.soton.ac.uk wrote:
>
> I have calculated normal modes using NAB, which produces an Amber format
> eigenvector file. I want to calculate the dot product of these
> eigenvectors to ensure that they are orthogonal.
>
> Is this possible in Ptraj?
I don't think so...you will probably have to write a small program of your
own to check this. Note that the eigenvectors should be orthogonal with
a diagonal mass matrix used as the "metric" matrix.
...good luck....dac
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Received on Sun May 27 2007 - 06:07:36 PDT
