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       demux - Convert XPLOR distance restraints to Gromacs format


       demux md0.log extra


       If  you  would  like to make your trajectories continuous again you can
       use demux to read your md0.log file (you  can  concatenate  several  if
       necessary)  and produce a few output files. One of these is a .xvg file
       (replica_ndx.xvg) that can  be  passed  to  trjcat(1)  along  with  the
       original trajectory files, in order to produce continuous trajectories.
       The other file (replica_temp.xvg) contains the  temperatures  for  each
       replica,  starting  at  the original temperature. So if your replica of
       interest starts at, say, 300 K, you can follow its  trajectory  through
       temperature space. It would be interesting to add some functionality to
       make histograms of temperature distributions for  each  replica,  which
       according to most authors, should be flat. The demuxed trajectories can
       be used with g_kinetics(1) to obtain protein folding kinetics from REMD


       md0.log  Log  file  of  the trajectory run you wish to make continuous.
       Multiple files can be appended together.

       extra Number of times each entry  in  the  log  file  will  be  copied.


       If  your  exchange was every N ps and you saved every M ps you can make
       for the missing frames by setting extra to (N/M - 1).  If  N/M  is  not
       integer,  you’re  out  of  luck  and you will not be able to demux your
       trajectories at all.


       gromacs(7),                  trjcat(1),                  g_kinetics(1),