I’m trying to use oplsaa force field to do some simulation. And in my molecular, there is a benzophenone group. But I can only find C of benzophenone in the force field (@atom:173). Where is the O?
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From oplsaa.lt
I see that there is only one possible choice:
set type @atom:223 charge -0.47 # "Ketone C=O"
However, you better check the references quoted in the original Tinker parameter file. Note that the total charge must be neutral when the atom types are assigned correctly.
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