Q-Chem Workshop

Please bring your own laptop for the workshop. Three programs will be used during the workshop: Q-Chem 3.2, Q-Chem User Interafce (QUI) and Avogadro (a free molecular builder/viewer).

For Windows (XP, Vista) - preferred:

• Download Q-Chem 3.2
• Install Q-Chem 3.2
  
• Download QUI
• Install QUI
• Download Avogadro
• Install Avogadro

For Mac:

• Download Q-Chem 3.2
• Install Q-Chem 3.2
  
• Download QUI
• Install QUI
• Download Avogadro
• Install Avogadro

Tutorial materials:

• Introduction

• Example 1 (Basic calculations)

• Example 2 (Advanced calculations)

• Example 3 (Intermolecular interactions)

• Example 4 (QM/MM method)

• PDB files for exercises