Hey All, I am running simulation for 20 ns. My simulation got crashed after 1710000 steps. I continiued the simulation with following command.
tpbconv -s 3.tpr -o 3n.tpr /opt/mpich_intel/ch-p4/bin/mpirun -machinefile cp -np 2 /usr/local/gromacs/bin/mdrun_mpi -s 3n.tpr -cpi state_prev.cpt -append The prog. is writing all new data to traj.part0002.trr, md.part0002.log, ener.part0002.edr (old files: 3.trr, 3.log and 3.edr) After simulation gets over then Can I combine my old and new files? Thanks Nilesh -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
