Introduction to Molecular Modeling

Exercises

Exercise #1 (A few simple Linux file manipulations) Exercise #2 (Learning to do molecular mechanics calculations with PCModel)
Exercise #3(Comparing structure file formats; using Jmol) Exercise #4 (Introduction to SPARTAN; comparison of molecular mechanics force fields)
Exercise #5 (Working with AM1 and PM3 semi-empirical calculations) Exercise #6 (Working with SPARTAN's ab initio module; comparing results with various basis sets


This page last modified 10:17 AM on Thursday August 5th, 2010.
Webmaster, Department of Chemistry, University of Maine, Orono, ME 04469