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 AMBER 16 is available in the FGCI gird environment

Below is a sampe job description file for parallel amber job.

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


Sample command file ( corresponding the job description file above:


echo "Hello Amber!"
module load AMBER

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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