Hi all,
I've installed GROMACS 4.0.7 and MPI libraries using ubuntu synaptic package
manager.
I want to run a simulation in parallel on a multi processor, single PC, but to
compile via grompp, it doesn't accept -np flag, and also , using -np in mdrun,
it still runs as a single job.
Thanks a lot for any instruction.
Bests,
Amin
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