[gmx-users] REMD error
lina.lastname at gmail.com
Thu Jan 12 05:37:36 CET 2012
On Thursday 12,January,2012 08:54 AM, bharat gupta wrote:
> I am trying to run a REMD of a peptide. But while executing the
> following command after nvt and npt equilibration , I am getting the
> following error:-
> mdrun_mpi mdrun -s prefix_.tpr -multi 20 -replex 1000
> mdrun_mpi: error while loading shared libraries: libgmx_mpi.so.6: cannot
> enable executable stack as shared object requires: Permission denied
Can you run a normal md smoothly?
mdrun_mpi mdrun -deffnm prefix_0
if it works, then some of your trajectories not sound. means system does
not equilibrium well.
> Can anybody suggest me how could I rectify this error.
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