Page Index - zadorlab/KinBot GitHub Wiki

22 page(s) in this GitHub Wiki:

• Home
• KinBot User Documentation
• Computational Environment
• Conformational Search
• General
• Input and Keywords
• KinBot file structure
• Master Equation Calculations
• Modes of Running: Kinbot and pes
• Output
• Overview
• Quantum Chemistry
• Reactant
• Reaction Types
• Reference
• Request Actions
• Restarting KinBot or pes
• Running KinBot
• Setting Up KinBot on Your System
• The no kinbot mode
• Uncertainty Quantification
• Variable reaction coordinate transition state theory (VRC‐TST) calculations