Whether dreiding force field calculates coulomb interaction in LAMMPS or not

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1

My supervisor(wzhuang@…4686…) says that:

" I guess the original question from the PO is really that why the dreiding force field parameters

for the organic molecules given by Material Studio have Zero charges for most of the atoms.

I am actually also curious about it. Any comments? "

Thanks.

2

Let me restate it. MS does not assign charges for UFF/Dreiding automatically (possibly due to the incompleteness of parameters), but you have the option to set up them manually or by QEq. Again you must make sure charges thus obtained are consistent with the literature. Otherwise some validation is needed.