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<P><FONT SIZE=2>Hi, everyone:<BR>
<BR>
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:<BR>
<BR>
Fatal error:<BR>
Demuxing the same replica 2 twice at time 32.000000<BR>
<BR>
My REMD sets the exchange time at every 2ps and record the coordinate information also at every 2ps.<BR>
<BR>
Does anyone meet the same problem or can give me some advice? I much appreciate any advice and help.<BR>
<BR>
Di,Pan<BR>
Graduate Student at<BR>
School of Engineering<BR>
Department of Biomedical Engineering<BR>
University of Alabama at Birmingham<BR>
<BR>
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