Re: [AMBER] Analysing the result after simulation

From: Bruno Rodrigues <bbrodrigues.gmail.com>
Date: Mon, 22 Aug 2011 16:29:39 -0300

Does it provide the same error?
If you type ls -la process_mdout.perl
in the directory where you have both the perl script and the output of the
simulation, what does it come out?

On Mon, Aug 22, 2011 at 3:27 AM, souvik sur <souviksur.hotmail.com> wrote:

>
> thank you sir
> It is now working...
>
> regards,
> Souvik Sur
> Ph. D. Student
> Department Of Chemistry
> University Of Delhi
> India
>
>
> > Date: Mon, 22 Aug 2011 11:30:38 +0530
> > From: kshatresh.gmail.com
> > To: amber.ambermd.org
> > Subject: Re: [AMBER] Analysing the result after simulation
> >
> > Hi Souvik,
> >
> > You should copy process_mdout.perl file in your directory. Make it
> > executable using chmod 755. And then run ./process_mdout.perl
> > xxxx.out .
> >
> > I hope it will help
> >
> > Kshatresh
> >
> > On 8/22/11, souvik sur <souviksur.hotmail.com> wrote:
> > >
> > > Helo sir,
> > >
> > > I have so far done my simulation job in Amber9, I am now trying to
> analysing
> > > the result using process_mdout.perl script following the amber
> tutorials but
> > > when I had run the command process_mdout.perl ../... .out it showed
> like :
> > >
> > > [root.network result_1000ps]# ls
> > > process_mdout.perl wat_nsn_ns_md_1000ps.out
> > >
> > > [root.network result_1000ps]# process_mdout.perl
> wat_nsn_ns_md_1000ps.out/
> > > bash: process_mdout.perl: command not found
> > >
> > >
> > > where is the problem lies, I have also checked the .perl script to show
> the
> > > path and it was right. So can you please suggest me any solution for
> it.
> > > waiting for your reply.
> > >
> > > regards,
> > > Souvik Sur
> > > Ph. D. Student
> > > Department Of Chemistry
> > > University Of Delhi
> > > India
> > >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
> >
> > --
> >
> **************************************************************************************************************************
> > Kshatresh Dutta Dubey
> > Senior Research Fellow (SRF)
> > Biophysics Unit,
> > Department of Physics
> > DDU Gorakhpur University
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
-- 
Bruno Barbosa Rodrigues
PhD Student - Physics Department
Universidade Federal de Minas Gerais - UFMG
Belo Horizonte - Brazil
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Received on Mon Aug 22 2011 - 13:00:03 PDT
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