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 (Data file editing; using Rasmol) 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


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