Re: [AMBER] Lower energy frame from summary.EPTOT

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 11 Mar 2016 20:53:29 -0500

Something that might help, if you define the alias grep to mean "grep
--color=auto", then the exact text being matched by your regex will be
colored. I find this very helpful when parsing through the results of
using grep.

HTH,
Jason

On Fri, Mar 11, 2016 at 11:49 AM, Vasantha Kumar <vin.vasanth.gmail.com>
wrote:

> Dear David
>
> thanks you so much for your kind answer.
>
> Bon week end!!!
>
> Sincerely
> Vince
>
> 2016-03-11 13:32 GMT+01:00 David A Case <david.case.rutgers.edu>:
>
> > On Fri, Mar 11, 2016, Vasantha Kumar wrote:
> > >
> > > VINCE.MARIE-PC:analysis$ grep 437.000 ../CL112_ZAFF_solvate_md.out
> >
> > > I didn't under stand why in the
> > > output file I have many possibilities? i.e 437.000 at different "ps"
> > time.
> >
> > You should do some research about the grep command. The "437.000" is a
> > regular expression, where the "." means "match any character". So, you
> > pattern will be matched by 4379000 and by 8437.000, and lots of other
> > things.
> >
> > If you look at the lines that were output, you will see that all lines
> > match.
> >
> > If you just want the line at 437 ps, you need a more specific pattern,
> such
> > as ' 437\.000'. The space in front will not match things like 8437.000,
> > and
> > the backslash in front of "." says to treat the period as that character,
> > and
> > not as a special regular expression character.
> >
> > ...dac
> >
> >
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> >
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-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Mar 11 2016 - 18:00:11 PST
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