[gmx-users] mpi- gromacs

[Chih-Ying Lin]

Hi

Here is my pdb file.
#!/bin/bash
#PBS -l nodes=2
cat $PBS_NODEFILE
echo  Working directory  is   $PBS_O_WORKDIR
cd  $PBS_O_WORKDIR
mpirun -np 2 g_energy_mpi -f minim_ener.edr -o minim_ener.xvg
11 0


Then, it showed
Fatal error:
No energy terms selected


How to fix the problem
Thank you
Lin