Hi,
The file produced by 'perresavg' will have the average and standard
deviation of each residue specified - maybe that is closer to what you
want?
-Dan
On Fri, Oct 16, 2020 at 12:51 PM Seibold, Steve Allan <stevesei.ku.edu> wrote:
>
> Hi
> I am trying to do something simple but am having a difficult time getting cpptraj to write out the dat file properly. I want to produce an output file containing two columns. The "x" coordinate containing residue numbers 1-548 and the "y" coordinate containing the rms(f or d) values for each residue (numbered 1-548). Is this possible? I have tried the "byres" and the "perres" command but neither is working for me...
>
> Thanks, Steve
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Received on Fri Oct 16 2020 - 10:30:03 PDT
