Video Tutorials
Build the aspirin molecule
In this tutorial, you will learn:
- To create a molecular structure from scratch.
- To add all the hydrogen atoms at once.
- To pre-optimize the structure using classical mechanic and the universal force field (UFF).
Let's do this on the aspirin molecule:
Create and launch a Gamess-US calculation on the aspirin molecule
In this tutorial, you will learn:
- To create an input file for a quantum chemistry program such as Gamess-US or Gaussian.
- For Gamess-US only, to launch the job on your local machine.
