Hi List,
I have calculated PCA using following to output file containing 10 models.
center origin :1-18
# now image the whole system about the centered origin
image origin center
rms first :1-18.CA
matrix covar name covmat out covmat-ca_10.dat .CA
analyze matrix covmat out evecs-ca_10.dat vecs 10
This seem like a trivial question. How do I read these models (PCA 1 to 2)
to define datasets in the hist (histogram) command in cpptraj?
Many thanks,
Neha
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Received on Mon Apr 14 2014 - 05:00:02 PDT
