I tried the command "analyze statistics all" in the input file, but there is no output file for this statistics. I also tried "out statis.out" after this command, still no output file for it. Is there something wrong or I don't understand it.
Thanks a lot for your help!
Thomas Cheatham <tec3.utah.edu> wrote:
> Thanks a lot for your reply! I understand it now. But if I calculate the
> real dihereal angles one by one, it will be a very large input dihedral
> commands and output files, then do the average. Is it correct?
Yes, lot's of files and I agree tedious; to get averages of each angle,
you can add the command:
analyze statistics all
to the ptraj input.
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Esther B.
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Received on Sun Jan 28 2007 - 06:07:08 PST
