Hi Dan,
many thanks for the bash guide- I've found it very useful. In general I'd
like to look at some basic bash script examples suitable for typical md
jobs dealing with the running of many of simulation on clusters because the
most complicated examples like replica exchange simulation have already
been present in the amber tutorials.
James
2014-06-17 1:11 GMT+04:00 Daniel Roe <daniel.r.roe.gmail.com>:
> Hi,
>
> On Mon, Jun 16, 2014 at 1:59 PM, James Starlight <jmsstarlight.gmail.com>
> wrote:
>
> > Does someone know how would be possible to improve such scripts? Also
> I'll
> > be thankful for any other useful examples.
> >
>
> The answer to this is going to depend completely on what you ultimately
> want to accomplish. It appears that the scripts that you posted have very
> specific goals, which may not ultimately be what you want to do.
>
> One resource I have found to be particularly useful is the 'Advanced Bash
> Scripting Guide', http://www.tldp.org/LDP/abs/html/. It contains many
> useful examples of bash scripting.
>
> Good luck,
>
> -Dan
>
>
> >
> >
> > James
> > _______________________________________________
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> >
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
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Received on Tue Jun 17 2014 - 11:30:02 PDT
