[gmx-users] What is demux.pl script

[Justin A. Lemkul]

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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-- 
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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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