#!/bin/sh

# request Bourne shell as shell for job
#$ -S /bin/sh

# Name of the job
#$ -N cg_mlt_999

# Name of the output error file
#$ -o cg_mlt.iw.r1.log 

# Combine output/ error messages into one file
#$ -j y

# Use current working directory
#$ -cwd

# Specify the parallel environment (pe)
#$ -pe mpich 16

# Commands to be executed
 /home/sourav/NAMD_2.10_Linux-x86_64-multicore/charmrun +p16 /home/sourav/NAMD_2.10_Linux-x86_64-multicore/namd2 cg_mlt.iw.r1.conf