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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.