Hi Anselm,
Perfect, I'll probe this. Thanx you so much!
"Dr. Anselm Horn" <anselm.horn.fau.de> escribió:
> Hi Myriam,
>
>> 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?
>
> you have a typo in your awk command: the single quotes mark the awk-code:
> awk '{ print $3, $6, $9 }'
>
> A word of caution:
> If you use this simple grep-command upon your out-file, you get not only
> the Etot values for each of the printed MD steps, but also the Etot
> averages and fluctuations (last two paragraphs in the out file); thus,
> you probably want to omit the last two values in your graph.
>
> Regards,
>
> Anselm
>
>
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Received on Wed Aug 05 2020 - 04:30:02 PDT
