[gmx-users] demux.pl

YanhuaOuyang 15901283893 at 163.com
Tue Oct 11 16:20:38 CEST 2016


Hi,
I have 60 replicas simulated with REMD using gromacs. I demultiplex .xtc files with demux.pl script. I know we can generate a continue coordinate trajectory using "gmx trjcat" combined with "-demux replica_index.xvg" option. However I am confused with using the option "-demux replica_temp.xvg"  to deal with .xtc files.
 What kind of trajectories we can get with "-demux replica_temp.xvg", are they coordinates at the same temperature?
Whats the difference between trajectories generated with "-demux replica_temp.xvg" and the original output trajectories?

Best regards,
Ouyang


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