用于使用forloop创建多个文件的bash脚本

Question

我是bash脚本中的新品牌。我想用forloop编写一个脚本，它会给我下面的行并执行这些行。

gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 1000 -e 10000 -skip 10 -o 1.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 2000 -e 20000 -skip 10 -o 2.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 3000 -e 30000 -skip 10 -o 3.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 4000 -e 40000 -skip 10 -o 4.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 5000 -e 50000 -skip 10 -o 5.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 6000 -e 60000 -skip 10 -o 6.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 7000 -e 70000 -skip 10 -o 7.out 

....

Answer 1

还可以保存几个打字行的，并让他们全部并行完成与GNU并行：

parallel gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b {}000 -e {}0000 -skip 10 -o {}.out ::: {1..7} 

如果你想看看它会做什么，但没有做任何事情，请使用parallel --dry-run。

Answer 2

使用for循环基本的bash：

for i in {1..7}; do 
    gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b ${i}000 -e ${i}0000 -skip 10 -o $i.out 
done 

Answer 3

可以使用C风格的循环为好，例如

for ((i = 1; i < 8; i++)); do 
    echo "gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b $((i * 1000)) -e $((i * 10000)) -skip 10 -o $i.out" 
done 

示例使用/输出

$ for ((i = 1; i < 8; i++)); do 
>  echo "gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b $((i * 1000)) -e $((i * 10000)) -skip 10 -o $i.out" 
> done 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 1000 -e 10000 -skip 10 -o 1.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 2000 -e 20000 -skip 10 -o 2.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 3000 -e 30000 -skip 10 -o 3.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 4000 -e 40000 -skip 10 -o 4.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 5000 -e 50000 -skip 10 -o 5.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 6000 -e 60000 -skip 10 -o 6.out 
gmx trjconv -f md_0_1.xtc -s md_0_1.tpr -b 7000 -e 70000 -skip 10 -o 7.out