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
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