[gmx-users] REMD error

[lina]

On Thursday 12,January,2012 08:54 AM, bharat gupta wrote:
> Hi,
>
> 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?
try:
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.
>
> --
> Bharat
>