Re: Runnig same config file many times

From: Mauricio Carrillo Tripp (trippm_at_gmail.com)
Date: Fri Jul 15 2005 - 17:33:48 CDT

ok, I don't quite understand why would you want to do that, but
you'll be able to do it using the shell script I'm sending you.
Just make it executable (chmod 755 run-namd.csh) and edit
the line where your config file should be, then just run it with
./run-namd.csh
and at the end you'll have 25 different log files!

On 7/15/05, Shahid Qamar <qamar13_at_hotmail.com> wrote:
>
>
> Hi
> Thanks for your reply.
>
> In fact I want to run MD of a system 25 times under same conditions.
> For example I have a config file xxx.config.
>
> I want to run this file 25 times. Each time I need a logfile which tells
> me
> the information in it.
>
> I will not change any thing in the config file. Basically it is a same
> file
> runing 25 times. It will give me the statatistics about some information
> which I want to get out of it.
>
> Thanks for your help
>
> Shahid
> From: Mauricio Carrillo Tripp <trippm_at_gmail.com>
> Reply-To: Mauricio Carrillo Tripp <trippm_at_gmail.com>
> To: Shahid Qamar <qamar13_at_hotmail.com>
> CC: namd-l_at_ks.uiuc.edu
> Subject: Re: namd-l: Runnig same config file many times
> Date: Fri, 15 Jul 2005 16:45:05 -0500
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>
> what exactly do you mean by running one simulation 25 times?
> do you mean running the same system from the same starting point but
> different parameters?
> or, same system but running one simulation after the other, each one
> starting from the
> end of the previous one?
> either way you can achieve it with a shell script directing output to a
> log
> file, but I need to know more
> about what you want to do to help you more...
>
>
>
> On 7/15/05, Shahid Qamar <qamar13_at_hotmail.com> wrote:
> >
> > Hi,
> > I am trying to run a one simulation 25 times. I dont need anyout put
> fiole
> > but log file.
> > I know I can run in que but is there anyway i can run in a loop and each
> > time it creates a different log file so that i can get the information
> > from
> > log file. I dont need any other output files.
> >
> > Any TCl script or any idea how i can run one simulation many times to
> get
> > the statistics?
> >
> > Thanks
> >
> > Shahid
> >
> >
> >
>
>
> --
>
> Mauricio Carrillo Tripp, PhD
> Department of Chemistry
> Wabash College
> trippm_at_wabash.edu
> http://chem.acad.wabash.edu/~trippm
>
>
>

-- 
Mauricio Carrillo Tripp, PhD
Department of Chemistry
Wabash College
trippm_at_wabash.edu
http://chem.acad.wabash.edu/~trippm

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