Q-Chem Workshop 2009

Tutorial Materials:

The main platform of the tutorial session is Linux.  Three programs will be used: Q-Chem 3.2, Q-Chem User Interafce (QUI) and Avogadro (a free molecular builder/viewer).

• Utilitiy programs

• Example 1 (basic calculations)

• Example 2 (advanced calculations)

• Example 3 (intermolecular interactions)

• Example 4 (QM/MM method)

• Exercises

• PDB files