RE: [AMBER] 'process_mdout.perl' script

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 31 May 2010 16:15:20 -0700

Hi Homa,

You can use sed to do this.

E.g.

cat summary.ETOT | sed -n '0~5p' > summary.ETOT_every_5th_line

All the best
Ross

> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of Homa Azizian
> Sent: Sunday, May 30, 2010 6:22 PM
> To: AMBER Mailing List
> Subject: [AMBER] 'process_mdout.perl' script
>
>
> Hello amber user,
> I try to extract energy information from my output files. In order to
> do
> so, I use the the 'process_mdout.perl' script. Since the ETOT.summery
> is very large that I can't see all the energy points in the Ecexl, is
> there a way to reduce the number of energy point by some changes in
> 'process_mdout.perl' script? e.g. save points every 500 steps?
> If I cant how could I see all points, with which program?
> Thank you for replying.
> Homa
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Mon May 31 2010 - 16:30:03 PDT
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