RMG documentation

RMG is an automatic chemical reaction mechanism generator that constructs mechanisms composed of elementary chemical reaction steps using a general understanding of how molecules react. This is its documentation.

This documentation is for RMG version 3.2-RC1.

Contents

• Introduction to RMG
• Installing RMG
• Creating a Condition File Manually
• Example Condition Files
• Creating a Condition File Using the Graphical User Interface
• Kinetics Libraries
• Running RMG
• Analyzing the Output
• Modifying the RMG Databases
• Estimating Species Thermochemistry
• Identifying all Reactions for a Set of Species
• Converting Between Different Species IDs
• Theory and Implementation Details
• FAQ (Frequently-Asked Questions)
• Credits