Yes, it is.
PCA simply assumes that you are sampling from an ensemble, and
concatenating several trajectories is adding data to that.
Adrian
On 4/17/17 9:19 AM, George Tzotzos wrote:
> This is a general question regarding PCA.
>
> Is it legitimate to concatenate independent trajectories (same complex, receptor, ligand; same topologies) and then conduct PCA on the combined trajectory?
>
> Thanks in advance for any suggestions
>
> George
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--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Apr 17 2017 - 06:30:03 PDT
