Dear All
I would want to know HOW exactly to employ PCA in cpptraj to find the entropy.
I mean do the steps differ any from the tutorial on PCA?
In what details does it differ from the tutorial?
Do we need to do the coordinate projection if we are calculating the entropy?
When we feed in a trajectory, and would want to find the entropy like in the tutorial, shouldn't we set the the number of vecs to 1 instead of 3??
Many Thanks
Ramin
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Received on Sun Jul 02 2017 - 23:30:02 PDT
