[gmx-users] What is demux.pl script

[Justin A. Lemkul]

zuole wrote:
> Dear Justin,
>  
> Thank you so much for your explaination. But I tried and still can not 
> find the demux.pl script. Probably it was the installation problem. If 
> you donot mind, would you please send the script to me? Your help is 
> sincerely appreciated.
>  

That's not a good idea.  If your installation did not work, then providing you 
with a single script is not going to do you much good; likely other things are 
broken, as well.  Further, I don't know what version of Gromacs you're using, 
and there may have been changes to the software.

If you suspect an installation problem, or some other underlying issue, please 
be sure you're following the installation instructions carefully:

http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions

If your installation is not working, please start a new thread with a detailed 
description of what you're doing (exact commands), hardware, compilers used, and 
any relevant error messages.

-Justin

> Thanks,
> Jackie
> 
>  
>  > Date: Fri, 5 Feb 2010 21:22:24 -0500
>  > From: jalemkul at vt.edu
>  > To: gmx-users at gromacs.org
>  > Subject: Re: [gmx-users] What is demux.pl script
>  >
>  >
>  >
>  > zuole wrote:
>  > > Hello,
>  > >
>  > > I've been reading all of the archived questions on the analysis of 
> REMD
>  > > in Gromacs, and I'm still a bit confused. It appears that the first 
> step
>  > > is to use the demux.pl script to demultiplex the REMD trajectories.
>  > > However, I am unable to find this demux.pl file in
>  > > the src/contrib/script/ folder. Can anyone please help me out on 
> this? I
>  > > would really want to know where to find the script or what the 
> content is.
>  > >
>  >
>  > The demux.pl script is in the /bin subdirectory of your Gromacs 
> installation
>  > (like all the other executables). The input is a .log file from an 
> REMD run;
>  > the output is then fed to trjcat ! ! when demultiplexing the 
> trajectories.
>  >
>  > -Justin
>  >
>  > > Thanks,
>  > >
>  > > Jackie
>  > >
>  > > 
> ------------------------------------------------------------------------
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>  >
>  > --
>  > ========================================
>  >
>  > Justin A. Lemkul
>  > Ph.D. Candidate
>  > ICTAS Doctoral Scholar
>  > MILES-IGERT Trainee
>  > Department of Biochemistry
>  > Virginia Tech
>  > Blacksburg, VA
>  > jalemkul[at]vt.edu | (540) 231-9080
>  > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>  >
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================