I am new to Linux and have just started performing Gaussian calculations for a new department created at my work.
I am interested in creating some small scripts to complete some of the routine tasks.
I have created a file based on an old BASH file but it is having issues.
This is a test script to test if I could script and it failed misserably.
I am trying to take a file "filename.chk" and run a formchk function that would create a new file "filename.fchk"
formchk is a function of gaussian that required a *.chk input and a named output file. i am trying to make this file univeral for all filenames that would be submitted to it. If this works I will add additional maniputation as needed.
I ran "chmod +x" on the script and executed with "./"
The error i received was "invaid varialbles"
any assistance would be greatly appreciated.
Thanks!!!
Last edited by Franklin52; 02-08-2012 at 06:08 AM..
Reason: Please use code tags for code and data samples, thank you
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