Re: [AMBER] ante-MMPBSA question

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 27 Oct 2015 11:41:15 -0400

On Tue, Oct 27, 2015 at 10:22 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> Try single quotes around the mask expression. Hopefully that works.
>

​Yes, this should work, and was going to be my suggestion :). The reason !
is causing problems is because the shell assigns special meaning to it
(it's the "bang" operator) associated with looking through history.

Using single-quotes tells the shell that the contents are string literals,
and do not apply special meaning to any of them (which is what you want --
you want ! to be part of the mask, not a directive to bash to pull out
stuff from its history)​. Using double-quotes tells the shell to try and
evaluate the contents of the string (again, not what you want).

​The example of the difference between single- and double-quotes:

swails.batman ~ $ echo "$AMBERHOME"
/home/swails/build_amber/amber
swails.batman ~ $ echo '$AMBERHOME'
$AMBERHOME

​In the first (double), the variable is expanded. In the second (single
quotes), it's not.

</long-winded explanation of what Dan already knows and why he suggested
single quotes in the first place>

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Oct 27 2015 - 09:00:04 PDT
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