#!/bin/bash 
#$ -S /bin/bash 
#$ -cwd 
source /etc/profile
$AMBERHOME/exe/sander -O -i wat_nsd_md3.in -o wat_nsd_md3.out -p wat_nsd.prmtop -c wat_nsd_md2.rst -r wat_nsd_md3.rst -ref wat_nsd_md2.rst -x wat_nsd_md3.mdcrd

                            gzip -9 -v wat_nsd_md3.mdcrd