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2008.01.21 Monday

Amber9 & Gaussian03の講習会


• Vladislav Vasiliev(The Australian National University)
• Ivan Rostov(The Australian National University)
For the first day:
2/6 (Wed)
10:00 Introduction to Amber: the theory and practice of biomolecular simulations using the Amber suite of programs (Vlad講師担当)
11:00 Continuum solvation models in Gaussian 03(Ivan講師担当)
--- Lunch ---
13:00 How to set-up calculations and what to do with non-standard residues (Vlad)
14:00 Running simple minimizations and MD simulations using the sander and pmemd modules (Vlad)
15:00 Practice with PC (Vlad)

For the second day.
2/7 (Thu)
10:00 A coupled potential QM/MM/MD simulation in Amber (Vlad)
11:00 ONIOM method in Gaussian 03 (Ivan)
--- Lunch ---
13:00 Using dynamics simulations to estimate binding energetic (Vlad)
14:00 Analyzing MD results (Vlad)
15:00 practice with PC (Vlad)