[gmx-users] concatenate md files

R.Vidya Rajendran (10PHD013) vidya2010 at vit.ac.in
Sun Jul 24 20:47:21 CEST 2011

Dear Friends,

I am doing simulation of a system containing a protein (T4 lysozyme
L99A/M102Q) in complex with a ligand with the help of Justin

I ran following commands to perform production run (1000ps)

grompp -f md.mdp -c npt.gro -t npt.cpt -p topol.top -n index.ndx -o md_0_1.tpr

mdrun -deffnm md_0_1

But in between my computer got switched-off. My simulation is in half
way (500ps).

How i can concatenate the files to restart the simulation from 500ps.

Thank you


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