You can just try something like:
> awk ' $2~"ENERGY" {getline;print$3} ' your_ouput_file_name
and redirect the result to a file. You can then use any plotting
program to read from that file.
You see, you don't really need a script for that, although for more
complicated things it would be useful to learn some awk scripting.
(try, for example,
http://www.math.utah.edu/docs/info/gawk_toc.html)
The attached script does exactly the same thing, but you would run it with:
> awk -f test.awk your_ouput_file_name
HTH.
Gustavo.
On 7/7/06, Tanya Johannsen <tanyajohannsen.yahoo.com> wrote:
> Dear AMBER community:
>
> Does anyone have a script that can extract information
> (such as ENERGY) from a minimization .out file and put
> it in a data file that can be easily plotted? If
> anyone has such a script, I would be very grateful if
> I could borrow it. I looked at the listserv archive
> and tried the "plotamber" program that was suggested,
> but it doesn't seem to work on AMBER 8.
>
> Thank you very much in advance for any suggestions.
>
> Tanya
>
>
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- application/octet-stream attachment: test.awk
Received on Sun Jul 09 2006 - 06:07:22 PDT
