Hello,
How can I use the autocorr function in cpptraj to measure the correlation between the frames of a trajectory? I extracted two frames in separate rst7 files: frame_99ns.rst7 and frame_100ns.rst7, and want to measure the correlation between them. I tried the following command, but it didn't work because "no data sets selected". What is my command missing?
> autocorr name files frame_99ns.rst7 frame_100ns.rst7 out corr.dat
Thank you,
Noureen
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Received on Thu Jul 18 2024 - 04:00:02 PDT
