On 02/06/10, zuole <zuol...@msn.com> 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.

That depends on the kind of analysis you wish to perform. If you want trajectories that are structurally continuous but ensemble-discontinuous, use demux.pl. The trajectories written normally are the opposite.

Mark

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. 
 
Thanks,
 
Jackie


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