Dear all,<br><br>I came across a problem when I want to make the REMD trajectories continuous.<br><br>What I did:<br><br>1. '<a href="http://demux.pl">demux.pl</a> REMD_0.log' --to get the 'replica_index.xvg'<br>
2. 'trjcat -f ../REMD_*.xtc -o resort.xtc -demux ../replica_index.xvg'<br><br>It seems smooth. But when I check the rmsd of the output 0_resort.xtc, I found it's still discontinuous.. with big jumps about 0.5nm..! Could you help me to figure out what's wrong? Thanks a lot.<br>
<br>Best,<br><br>Qin<br>