Dear Sir,
In the previous older version of gromacs(3.3.x) , there is
always an option -np by which I can say about the number of processors
that I required parallel computation. But in the gromacs4.0.3 version,
I could not find that. Can you tell me how can I run in gromacs 4.0.3
version?
Previously, I used the command like following
/home/anirban/gromacs/bin/grompp -np 32 -f grompp_md_nosehoover.mdp -p
dppc-sm-chol-water-1-1-1.top -c
dppc-sm-chol-water-1-1-1_NPT_berendsen_md.gro -o topol.tpr
mpirun -np 32 /home/anirban/gromacs/bin/mdrun -v
But now, what is the command to run in gromacs4.0.3 in parallel computation?
Thanking you,
Anirban
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