05-19-2009
Small Program with variables
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
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LEARN ABOUT REDHAT
contrib
CONTRIB(1) mrtg CONTRIB(1)
NAME
contrib - Contribution Guidelines for MRTG
SYNOPSIS
If you have written an extension to mrtg or created a bug fix, please consider contributing it to the project. As I get quite a number of
contributions every week, here are a few guide lines which explain how to contribute so that I can use the contribution without too much
additional work.
TRANSLATIONS
MRTG messages have been translated to a number of languages. But there are still many which have not been covered yet. If you want to add
yours, go into the mrtg-2.9.17/translate directory, and follow the instructions given in the README file.
DOCUMENTATION
All documentation of mrtg is done with the perl POD system. If you want to learn about it, type
perldoc perlpod
and read the instructions. If you have bug fixes of additions to the existing documents, make sure you modify the POD files and not the
HTML or txt versions.
PATCHES
When you have created your modification or extension to mrtg and want to submit it to me, please create a patch for the files which you
have modified. Do not send entire files unless they are new.
To create a patch, get hold of a copy of GNU diff (Many Unix systems will have this installed already. In the NT world you might want to
get http://sources.redhat.com/cygwin/ to get all the nice GNU tools available.) and type
diff --unified --ignore-space-change file.orig file > simple.patch
or if you have modified several files do
diff --recursive --unified --ignore-space-change dir.orig/ dir/ >long.patch
DOCUMENTATION
I take documentation very seriously. When ever you create a new feature for mrtg which you want to get included in the official release
your patch must also contain modifications for the relevant pod file in the doc tree or for the documentation sections of cfgmaker and
indexmaker.
ADDRESS
Send your patches, translations and contributions to Tobias Oetiker <oetiker@ee.ethz.ch>
AUTHOR
Tobias Oetiker <oetiker@ee.ethz.ch>
3rd Berkeley Distribution 2.9.17 CONTRIB(1)