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

From: Vasantha Kumar <vin.vasanth.gmail.com>
Date: Fri, 11 Mar 2016 17:49:20 +0100

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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Received on Fri Mar 11 2016 - 09:00:04 PST
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