[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
tutorials.
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
regards
vidya
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