I did source GMXRC and gmx runs, just not gmx_mpi. I didn’t alter the default suffixes. I haven’t tried “mdrun_mpi” yet, so I’ll try that and let you know how it goes!
I did source GMXRC and gmx runs, just not gmx_mpi. I didn’t alter the default suffixes. I haven’t tried “mdrun_mpi” yet, so I’ll try that and let you know how it goes!