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Contents
Music Documentation
Written by
Shaji Chempath, Louis A. Clark, Tina Düren, Amit Gupta, Martin J. Sanborn, and Lev Sarkisov
Copyright @ 2003 Northwestern University
Contents
Overview of Music
Introduction
Capabilities
Performance
Organization of the code: flow charts for programmers
Basics
Downloading
Files and directories
Quickstart Guide
Compiling music to get an executable
Running music (explained with MD of butane as example)
HowTo....
Reporting Problems and Getting Help
Explanation of input and output files
Input files
Output Files
Examples
Example-1 MD of butane
Example-2 MD of butane in silicalite
Example-3 Use of post-code
Example-4 GCMC in zeolites: Methane
Example-5 GCMC in zeolites: Hexane+Butane+Methanol (configurational biased)
Developer documentation
Introduction
Cool flow-charts
Forcefield calls
Conventions in coding
Theory
Electrostatics
About this document ...
Last edited by Shaji Chempath on: 2008-06-26
