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The example below uses 32 MPI processes. MMPBSA scales linearly because each trajectory frame is processed independently. | The example below uses 32 MPI processes. MMPBSA scales linearly because each trajectory frame is processed independently. | ||
{{File | {{File | ||
|name= | |name=mmpbsa_job.sh | ||
|lang="bash" | |lang="bash" | ||
|contents= | |contents= | ||