HI 6327 Session 4

1. Lecture: Molecular Dynamics Simulation: Overview (PDF file)
2. Lecture: Molecular Dynamics Simulation: Practice I (PDF file)
3. Reading Assignment

Resources and Assignments:

1. Lecture: Molecular Dynamics Simulation: Overview

You can download example files here: [PSF] [topology file] [parameter file].

Reading Assignment

Schlick Chs. 8, 9, 12, 13.

On the internet:

• Introduction to Macromolecular Simulation (P.J. Steinbach): http://cmm.info.nih.gov/intro_simulation
• X-PLOR site: http://xplor.csb.yale.edu
• Online Manual: http://alpha2.bmc.uu.se/local_html/xplor_mirror.html