[gmx-users] concatenate 2 trajectory files

Atila Petrosian atila.petrosian at gmail.com
Fri Jul 28 17:48:51 CEST 2017

Dear gromacs users,

I had done a md simulation for 100 ns. I continued that for another 50 ns.

gmx grompp -f 100.mdp -c eq.gro -p system.top -o 100.tpr -n index.ndx
gmx mdrun -nb gpu -v -deffnm 100

gmx grompp -f 50.mdp -c 100.gro -p system.top -o 50.tpr -n index.ndx
gmx mdrun -nb gpu -v -deffnm 50

I concatenated these 2 trajectories (100.xtc and 50.xtc) using

gmx trjcat -f 100.xtc 50.xtc -o 150.xtc -settime

I want to know for analysis on final trajectory (150.xtc), which of
tpr files is appropriate (100.tpr or 50.tpr)? Should I concatenate
tpr files?


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