Hello Geniuses of the unix world. please help, stupid chemist. I have the following script that I need to create a file. Doesnt make sense unless i explain this way: I need to create a file called summary.in I would like all these lines to be inserted however in the command line I would like the words in red to be variabls. So I can run a program from the command line, put in my variables and the summary.in file is created. Thank you all.
ArNa
B1LYP/6-311++G(3df,2pd) scan
Na
Ar
/u/ac/dkirkpa3/sumcalc/
ArNa_B1LYPcp
Na_B1LYP
Ar_B1LYP
progcros.in
progcros.out
gram_char.in
ArNa-B1LYP-CP-en-ko
0.5
/u/ac/dkirkpa3/summary/data2.txt
100 4.0 400.0
1.0 1.0 1.96
/u/ac/dkirkpa3/summary/summary.csv