[gmx-users] Fw: Attempting REMD tutorial by Mark Abraham
israele at cpp.edu
Thu May 30 06:52:35 CEST 2019
From: Israel Estrada
Sent: Wednesday, May 29, 2019 3:15 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Attempting REMD tutorial by Mark Abraham
I'm attempting to follow Mark Abraham's introduction to REMD.
I'm currently attempting and failing to run REMD equilibriations in stage 1, using the command:
mpirun -np 4 mdrun_mpi -v -multidir equil
However, I'm receiving an error "mpirun: cannot start mdrun_mpi on n0 (o): No such file or directory"
Any guidance would be very much appreciated. I'm certain it's a fairly simple fix, I'm just not well versed in this yet.
More information about the gromacs.org_gmx-users