#!/bin/sh
#BSUB -J job1
#BSUB -o job1.eo
#BSUB -a mvapich
#BSUB -q atlas5_parallel (or: atlas6_parallel, atlas7_parallel)
#BSUB -n 16   (Note: for atlas6_parallel and atlas7_parallel, n can be 24 or 36)

mpirun.lsf /app1/linux/Gromacs/gromacs455a5/bin/mdrun_mpi-nice0-v-sjob1.tpr-ojob1.trr-cjob1.gro-ejob1.edr-gjob1.log