On Dec 14, 2009, at 6:08 PM, Nilesh Dhumal wrote:
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
this step is not needed you can use the same tpr in your following
command.
/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?
yes use trjcat for this.
Thanks
Nilesh
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