[gmx-users] Can I combine my old and new .trr files?

Nilesh Dhumal ndhumal at andrew.cmu.edu
Mon Dec 14 18:08:21 CET 2009

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?



More information about the gromacs.org_gmx-users mailing list