Tina Düren

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Department of Chemical Engineering, University of Bath

Music links

• Back to main Music tutorial page

• Next: Compiling Music

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Music tutorial - Introduction

Music can be downloaded from Northwestern University. Randy Snurr's pages also contain more comprehensive documentation for the more advanced users who want to customise music.

Throughout this tutorial the following conventions will be used:

• Text in square brackets [ ] are variables that the user has to provide, such as file names


• Text in blue are either commands into the shell which are denoted by a ">" or else are entries into a file.
• The sorbate is the substance being adsorbed into the sorbent (in this example methane).
• The sorbent is the solid that the sorbate is going into (in this example IRMOF1)

NOTE:

• Music input files have several blank lines in them which if removed will stop it from working. If in doubt leave it in or check the original.
• If a number has a decimal point after it but is a whole number LEAVE THE DECIMAL POINT IN.