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Decision on handling epsilon, sigmas, charge location/equation, and finalizing the standard equation formats  #616

@bc118

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@bc118

These items need addressed to properly finish the Charmm writer and likely other writers:

  • Do we want a standard check or function to see if all atom types in the same class have the same sigmas and epsilons? I am not sure of a standard FF that this should not be true, but could be wrong?

  • Accept these changes and additions to the standard GMSO XMLs (Modified RB and Periodic torsions #615)?

  • What is the final decision about the charges in the GMSO XML?

  • Are we leaving out the charge part of the equation in the XML? If not, how are we going to do/implement this? Is there any case/FF where the charge equation is different even by a scalar or anything?

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