How do I do calculations for chemical systems that include organic compounds?
You have three choices: First, if the organic compounds that you want are in the public library (these are the ones that are always present in the drop-down box on the Available Compounds page) then first follow the instructions given in answer to question 2 in the section above. Second, if you want to model systems that contain organic compound(s) with properties that you define, follow the instructions given in answer to question 3 in the section above to create the compound(s) and add them to your model system. Third, if you want to do calculations using organic compounds that someone else has created, then obtain their library code and enter it in the box near the bottom of the Available Compounds page. This will add their “public” compounds to the list in the drop-down box from which you can select the ones you want. After selecting and/or creating your compounds go to a problem input page for any of Models I-III. The pages are automatically modified to include the organic compoun
