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Judit Zádor edited this page Sep 3, 2020 · 11 revisions

KinBot User Documentation

Overview
Setting Up KinBot on Your System
Reference
Running KinBot
Output
KinBot file structure

Toggle table of contents Pages 21

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

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