After selecting the Mopac, DFTB, MM or OpenBabel panel you can set up details of that particular calculation. DFTB, MM and OpenBabel should work without further actions, for Mopac you will need to install Mopac to the default location. Please check the GUI Installation Guide for details.
All these panels have a Show Output option. If that is checked, the output file of the calculation will automatically
When the geometry is changed by any of these programs, the geometry of your molecule will automatically be updated. This makes it easy to follow a geometry optimization using any of these methods.
You will also see the actual run script that ADFinput uses to start the calculation. This run script is constantly refreshed to match changes in your molecule or in your input options. If you UNcheck the 'Run script: Auto update' check box the script will no longer be updated (until you check the box again). This allows you to edit the run script and make your own changes.
The 'Add to job' option allows you to run these calculations as part of your job. Thus, not interactively from ADFinput but just like any normal ADF job. Normally a job will also execute ADF. If you do not wish this, be sure to check the 'Skip ADF' box.
