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( "gbin" "gbin" )
( "md12.x" "md12.x" )
( "prmtop" "prmtop" )
   ( "output.tar" "output.tar" )

echo "Hello Amber!"

#module load AMBER
#module load OpenMPI

#export PATH=${PATH}:/home/kmattila/amber/amber16/bin
#export PATH=${PATH}:/cvmfs/

module list

which sander.MPI

ls -l
srun sander.MPI -O -p prmtop -i gbin -c md12.x -o mdout.dhfr_serial
ls -l
tar cf output.tar ./*
echo "Bye Amber!"



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