[gmx-users] looping job: time not updating

gromacs query gromacsquery at gmail.com
Fri Mar 14 00:30:01 CET 2014

Hi All

Though its mentioned here how to restart jobs:

but I tried to run something like this (by scripting) but copying here how
script is looping jobs:

#stage 1
grompp -f npt.mdp -c conf_1ns.gro -t state_1ns.cpt -p topol.top -o npt2.tpr
-n index.ndx
mdrun -s npt2.tpr -o traj_2ns.trr -e ener_2ns.edr -c conf_2ns.gro -g
md_2ns.log -cpo state_2ns.cpt

grompp -f npt.mdp -c conf_2ns.gro -t state_2ns.cpt -p topol.top -o npt3.tpr
-n index.ndx
mdrun -s npt3.tpr -o traj_3ns.trr -e ener_3ns.edr -c conf_3ns.gro -g
md_3ns.log -cpo state_3ns.cpt

When I look in any log file it always start time at 0, what I have missed


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