Choose Computational Engine
WebMO supports many computational chemistry programs:
- Choose Engine: Specify which program should be run
Configure Job Options
Specify details of calculation to be run:
- Job Options: List of common and advanced job options
- Calculation Types: Description of various calculation types
- Supported Calculations: Comprehensive list of calculation types supported by each engine
- Preview Input: Previewing or editing input file
- Job Notes (Pro): Adding notes to a job
- Resources (Pro & Enterprise): Specifying computational resources for a job
Diagnosing Failed Jobs
Identify and correct causes of failed jobs:
- Failed Jobs: Tips on identifying causes of failed jobs