[gmx-users] REMD demux problem.

zuole zuolezl at msn.com
Wed Feb 10 13:03:58 CET 2010

Hi all,

I met a problem when I try to use trjcat to connect the trajectory files of REMD. I used 16 replicas for my simulation, and used demux.pl perl script to generate the replica_index.xvg and replica_temp.xvg. Then I used trjcat -f xtc_*.xtc -demux replica_index.avg, however got an error information as below:

Reading frame       0 time    0.000   Segmentation fault

Then when I tried trjcat -f traj*.trr -o traj.trr -demux replica_index.xvg, got another error as this:

Fatal error:
You have specified 17 files and 16 entries in the demux table

Can anyone give me some advice on what have gone wrong? Thanks a lot.
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