Getting Started with Molecular Simulation in FIRST

A guide for new students getting started on the FIRST Center Project under Peter Cummings. We have compiled a list of articles and various resources to help get started.

Table of Contents

• Molecular Dynamics: How to start running MD simulations
• Software: Running and developing Python code
• MoSDef: Using the molecular simulation and design framework for FIRST research
• Analysis: How to analyze your data
• Recent Work: Research that may be helpful to you