I am running PCA script from the tutorial here
https://amberhub.chpc.utah.edu/introduction-to-principal-component-analysis/
by Galindo-Murillo, Roe, and Cheatham. I am confused on why the error after
reading the concatenate trajectory says that
"----- muOR-trajectories (1-100000, 1) -----
PROJECTION: Calculating projection using eigenvectors 1 to 3 of myEvecs
Start: 1 Stop: Final frame
Atom Mask: [:972-1252&!.H*]
Mask [:972-1252&!.H*] corresponds to 2256 atoms.
0% 10% 20% 30% 40% 50% 60% 70% 80% 90% Error: start 100001 > #Frames
(100000), no frames will be processed.
1 errors encountered reading input.
Error: Error(s) occurred during execution.
100% Complete."
I included here my script and the output file. Is there anything that I
am missing? Thank you in advance!
Mac Kevin Braza
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Received on Sat Jul 10 2021 - 16:00:02 PDT
