Using multiple processer to run the shell script

Question

Shell :

for a in `ls -1 *.pdb`; do ./fud --pdb=$a --command=run --state=-CRYSTAL --element=ion ; done 

cat //home/*.fxout  >> results.out

fgrep -v 1 results.out > new.out

Answer 1

Consider using GNU Parallel like this:

parallel ./fud —pdb={} —command=run —state=-CRYSTAL —element=ion ::: *.pdb

There’s a great tutorial here.