- Molecular editors -->Jamberoo
- Click Add fragment icon.
- In 'Add Fragment' select Ring Fragments --> Cyclopropanyl Group
Image I - Adding Cyclopropanyl Group in Jamberoo - Click on the main window black space and close 'Add Fragment', use 'Finish'.
- In 'Add Fragment' select Simple Fragments --> Formyl Group
Image II - Adding Formyl group and linking with Cyclopropanyl - Click on one H atom (it highlights in pink) then click on H atom in Cyclopropanyl (circled in the main window)
- close 'Add Fragment', use 'Finish'. Formylcyplopropane molecule is ready.
Image III - Formylcyplopropane - Export the molecule as Gamess input
Image IV - Exporting Gamess Input - To the Warning pop up message say yes.
Image V - Warning message to the user - Say 'Done' in 'Molecular Specification' window.
- In 'Invoke Summary' window say 'Yes'.
Image V VI - Molecular Specifications - In Gamess Input GUI export the input file to Create Experiment.
Image VI VII - Gamess GUI - In Create Experiment provide, Name, Select Applications Gamess_BR2 and provide walltime 60 minutes.
Image VI VIII - Create Experiment Window - Save and Launch.
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