Re: [gmx-users] problem in running mdrun command

Hi, There's nothing GROMACS-specific here - something about your MPI installation, configuration or use is pretty wrong, but we can't help work out what. Mark On Sun, Nov 10, 2013 at 12:31 PM, S.Chandra Shekar < chandrashe...@iisertvm.ac.in> wrote: > Dear all > > I encounter a problem while ru

[gmx-users] problem in running mdrun command

Dear all I encounter a problem while running command mdrun_mpi -v -deffnm em in gromacs. I am new to the gromacs. i just ran test calculation, *simulation of lyzozyme in water*. i am able to generate gro, tpr files. But in the final step i got following error. Thanks in advance. [localhost.l