[gmx-users] what is the difference between gmx mdrun and gmx tune_pme

[Vidya R]

Hi gromacs users,

What is the difference between gmx mdrun and gmx tune_pme? Which is better
to use in a cluster (especially when we submit our jobs through qsub
command?)




Also, what is the purpose of -np option in gmx tune_pme? Can someone
elucidate?


Thanks,
Viday.R