Tina Düren: Research Section
MUSIC Tutorial

First steps

• Introduction
• Downloading MUSIC
• Compiling music programs

Setting up files used for all simulations

• Environment variables
• Atom file
• Molecule file
• Intramolecular file

Setting up files for generating a pmap

• Atom-Atom interaction file
• Molecule-Molecule interaction file
• Map control file
• Generating a Pmap
• Map display

Runinng a GCMC simulation

• GCMC control file
  
• Running the GCMC simulation
  
• Post processing
  
• Calculating the excess amount adsorbed

Useful extras

• Calculating the fugacity
• Rasmol
  
• Unix commands

Writen by Roddy Ritchie

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