I would appreciate if you can answer some of these questions:
1) Can you suggest some good resources from which I can learning computation from scratch?
2) Are ORCA and GAMESS free tools?
3) Are they powerful enough to do computational work that can yield publication-quality results?
4( Do these tools require very high-end computers?
5) Are these two tools apt for me to start learning computational chemistry?
Hai Santosh.
Yes GAMESS is a free software. I have not worked with ORCA and I hope fellow researchers will shed some light on it.
GAMESS is indeed a powerful computational tool and it can be used to get the publication quality results. It is better to have a powerful computer, which will definitely save your computational time but even Quad core processor and 6GB RAM works well.
I hope the below links may be helpful.
https://medium.com/modern-physics/tutorial-on-density-functional-theory-using-gamess-5c3e988f5f01
https://youtu.be/rc3V97M0dYY
The Readme file (PDF) that comes with GAMESS US is pretty straightforward and easy to follow; you should be able to install and get the program running just by following that.
Also watch the following video... It goes through the usual workflow, Avogadro > GAMESS US > MacMolPlt:
https://www.youtube.com/watch?v=a3lAxaez7KQ
One of the first errors that we face when we start out with GAMESS is insufficient memory allocated for a run. The following link covers this nicely:
http://molecularmodelingbasics.blogspot.com/2009/08/gamess-memory-and-parallel_20.html
These should help you get started...
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