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MaxIT Classic Bedienungsanleitung Seite 11

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How to use MacMolPlt
For a H2O calculation input- and output-file is manageable, but for bigger molecules our
imagination is challenged. So it is useful to work with a visualization tool.
In this chapter we will learn how to use most needed properties of MacMolPlt.
We learned how do write a short input-file for a H2O optimization, now we try the same
with MacMolPlt. There are several way to create an input-file with help of such
visualization tool. For those who don't like ASCII-files, Brett Bode has implement a
GAMESS-Input-Builder. Other can use MacMolPlt for “optimizing” geometry per hand,
before starting a run.
MacMolPlt is a great tool to create/modify molecules and simply to watch calculated
results.
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