[gmx-users] REMD trjcat -demux problem
dpan at uab.edu
Wed Aug 20 01:06:23 CEST 2008
I met a problem when I try to use the trjcat -demux to connect
trajectory files of REMD. I use 68 replicas for REMD simulation, and use
demux.pl script to get the replica_index.vgx file. Then I try to use the
trjcat -f traj*.xtc -demux replica_index.xvg to get a continuous
trajctory file. But I got an error information as below:
Demuxing the same replica 2 twice at time 32.000000
My REMD sets the exchange time at every 2ps and record the coordinate
information also at every 2ps.
Does anyone meet the same problem or can give me some advice? I much
appreciate any advice and help.
Graduate Student at
School of Engineering
Department of Biomedical Engineering
University of Alabama at Birmingham
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