This section contains tutorials that show you how to use ReaxFF via the ReaxFF-GUI. As the ReaxFF-GUI is very similar to the ADF-GUI, we will focus here on ReaxFF specific features.
For example, it will show you how to start the ReaxFF-GUI, and how to manually edit molecules.
The first tutorial provides you with an overview over all relevant GUI modules. It will create a mixture of methane and oxygen, and burn it. This will clearly demonstrate that ReaxFF can handle reactions.
The second tutorial will show you how to set up a more complex system and how to use some of the advanced features of ReaxFF. In setting up the system you will also find out how to create an aluminum surface.Tutorial 1: Burning methane