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

rg > Subject: [gmx-users] what is the difference between gmx mdrun and gmx > tune_pme > > 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?) > > > &

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

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

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

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 -- Gromacs Users