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Week 1
Lecture: Introduction
Lecture: Molecular mechanics and Force Fields
Lecture: Statistical Mechanics 1
Lab: VMD Basics
Lab: Intermediate VMD
Lab: PDB and PSF
Assignment 1
Assignment 2
Files
Chem 181 Troubleshooting Guide and Tips
CHEM 181
Introduction to Molecular Simulation
Lecture 1: Introduction
Link to PDF
Lecture Outline
1. Chemical Computation Methods
1.1 Computational Units
1.2 System size
1.3 Atoms versus molecules
1.4 Methods and horsepower
2. Course Focus