Dear all,
I have been doing pca analysis on an accelerated MD trajectory of 500ns
(250,000 frames). I have attached the input file I have used for the study.
The job stops at the createcrd stage. Basically, the job gets killed at
30%. The same happened during the cluster analysis reading every frames.
The clustering error was solved when I changed the input to read every 5th
frame. Now since this is repeating in pca analysis, kindly help regarding
the same.
Regards,
Sruthi Sudhakar
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- application/octet-stream attachment: pca.in
Received on Mon May 31 2021 - 10:30:02 PDT
