Hi All Though its mentioned here how to restart jobs: http://www.gromacs.org/Documentation/How-tos/Extending_Simulations
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 #stage2 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 here? thanks Jiom -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
