Plan to move away from gaff-custom forcefield and *_typed.mol2 compounds

[chrisjonesBSU]

With planckton supporting both the custom gaff forcefield that was used previously, and now gaff via ante_foyer, there are quite a few extra required steps in the code. The custom gaff forcefield is really only required to support the *_typed.mol2 files in the compounds directory. We should test these compounds using gaff and loading from SMILES or an untyped mol2 file. If they all work then we should be able to get rid of the custom gaff xml file and the _typed.mol2 files completely, if some of them don't work then we can make a decision on how to proceed.

[chrisjonesBSU]

Maybe we can start a running list of the molecules here to keep track of which have been tested?

• PTB7
• P3HT
• CZTPTZ8FITIC
• CZTPTZITIC
• EH-IDTBR
• IDT-2BR
• IEICO
• ITIC
• ITIC-Th
• PCBM
• TruxTP6FITIC
• TruxTPITIC

I think that covers them.