Hello!
There is an example for extracting that information from the output files
with cpptraj (and a gnuplot example) available here:
https://amberhub.chpc.utah.edu/reading-the-out-files-and-plotting-different-properties/
Hope that helps!
Best,
Rodrigo.
On Wed, Aug 5, 2020 at 2:25 AM MYRIAN TORRES RICO <myriam.torres.iiq.csic.es>
wrote:
>
> Hi everyone,
>
> I want to create a energy's file using grep "Etot" file.out, but when
> I launch this comand and then grep "Etot" file.out |awk {'print
> $3,$6,$9'} > energies.dat, it generate nothing...but the file.out
> isn't empty...
> any idea?
>
> Thanx so much in advance,
>
>
> myriam
>
>
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Received on Wed Aug 05 2020 - 09:00:03 PDT
