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

[XAvier Periole]

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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