Topics Map > SCS Computing > How-To
Tutorials
Compiled list of links to Software Tutorials.
General Computing
Quantum Chemistry
Quantum Chemistry with Gaussian using GaussView
Introduction to Quantum Chemistry with Spartan
- This is a tutorial designed to introduce users to calculating pKa values of simple molecules utilizing Gaussian 09. Users are expected to have a foundation in Unix/Linux (see Linux primer tutorial)
Simulating Vibrationally-resolved Electronic Spectra Using Gaussian
- This is a tutorial designed to introduce users to simulating vibrationally-resolved electronic spectra utilizing the Gaussian 09 software package. Specifically, the simulation of vibrationally-resolved UV-Vis absorption spectra is performed on an anisole molecule. Users are expected to have a foundation in Unix/Linux (see Unix Primer, above).
Molecular Mechanics/Dynamics
Basics of membrane-protein interactions using molecular dynamics with NAMD, VMD, and CHARMM-GUI
MOE: Introduction to Molecular Mechanics: Why does GFP Need a Beta-Barrel Shell?