Proper force field for modelling a polyaromatic molecule, like asphaltene?

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Yuan Lyu

CHARMM-GUI (http://www.charmm-gui.org/?doc=input) could help to generate CHARMM FF for molecules with a pdb input file. Then, you can validate the accuracy of FF by performing some test simulation.

Amir Hossein Saeedi Dehaghani

Thanks Yuan

But, I'm really looking for best force fields to model asphaltene surface behavior at oil/water interface.

What's the best force field?

Does anybody have idea?

Many thanks in advance