On 18/04/2012 9:21 AM, Shyno Mathew wrote:
Hello Justin,
Thanks for your reply.
Now I have another question about appending the data to previous files.
I am running the simulation on a cluster and this is how the main line
on my job script looks like:
mpiexec -n 10 mdrun_dp_mpich2 -s equil_02.tpr -cpi equil_01.cpt
-append yes
Initially i didn't specify the append option as appending is the
default behavior as of version 4.5
I am using version 4.5.5, (gromacs/4.5.5-dp-mpich2/bin/mdrun_dp)
Even after specifying the append option, I can see the following new
files are being created,
traj.trr, traj.xtc, ener.edr, md.log.
Look at the .log file, wherein it tells you what it thought about your
request for appending.
Mark
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