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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
