Hello and welcome to the tutorials of GAMESS. This is a simple web site where you could find help to understand what we can do with GAMESS and also useful tutorials to learn how to create input files and to interpret the output files of GAMESS.


Quantum Background

This module will introduce you to how quantum mechanical calculations can be used to investigate chemical processes. An online portal to the program GAMESS is used to run calculations and explore commonly used methods for computing. Examples are given for several molecules that are in the environment.
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A Gamess tutorial made by S. Gordon from Iowa University give a good overview of Gamess and explain how to use it.

Input files

GAMESS input is directed by what is called $ or $ groups. The input components of directing what type of run should be done are included in the $CONTRL group. The $DATA section provides the specific molecular set up, both in terms of the symmetry type, as well as the information necessary to construct the molecule. This could be provided as a set of Cartesian components or, as a ZMATRIX.

Output files

This section is composed by a rigurous explanation of the different part of the output file of Gamess. In order to evaluate the characterof a molecular structure, you could perform different type of calculation:

Data files

Gamess punch out a data file containing the data regarding the computation and the data specified by the user in the input file. The user ususally can extract part of file that he could reuse as an input for an other program or to relaunch a calculation. Below there are some of the common use of hte data in the .dat file.