Dear all, I came across a problem when I want to make the REMD trajectories continuous.
What I did: 1. 'demux.pl REMD_0.log' --to get the 'replica_index.xvg' 2. 'trjcat -f ../REMD_*.xtc -o resort.xtc -demux ../replica_index.xvg' 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. Best, Qin
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