I try to make a change in a file that correspond in finding a certain value and substituted other value in other different column using awk comand:
INPUT
unit ntype qqatom
1 'Zr1' 0.0d0
vibration
0
improper
0
unit ntype qqatom
2 'H1' 0.0d0
vibration
0
improper
0
unit ntype qqatom
3 'C25' 0.0d0
vibration
0
improper
0
unit ntype qqatom
4 'O1' 0.0d0
OUTPUT
unit ntype qqatom
1 'Zr1' 2.222d0
vibration
0
improper
0
unit ntype qqatom
2 'H1' 3.333d0
vibration
0
improper
0
unit ntype qqatom
3 'C25' 7.456d0
vibration
0
improper
0
unit ntype qqatom
4 'O1' 9.99d0
I've try this command:
awk < UiO-66Zr-EH.mof '$2 ~ /Zr1/ {$3 ="2.008.d0"}1''$2 ~ /O25/ {$3 ="-1.179d0"}1''$2 ~ /O1/ {$3 ="-0.582d0"}1''$2 ~ /C25/ {$3 ="-0.121d0"}1''$2 ~ /C13 / {$3 ="-0.002d0"}1''$2 ~ /"C1 "/ {$3 ="0.625d0"}1''$2 ~ /O29/ {$3 ="-0.741d0"}1''$2 ~ /H1/ {$3 ="0.127d0"}1''$2 ~ /H25/ {$3 ="0.495d0"}1' > output
But didn't functional very well :s can i do that with awk and keep the same fomation also?