Hello everyone! I am calculating interaction energy of a system containing 909 water molecules (TIP4P) in a 30Ao cubic box in GROMACS. I am also calculating the same using my own code using Ewald summation. But the short range part doesn't match. I have set coulomb-modifier= None and cut-off scheme=group. I wish to know what terms are actually evaluated in Coulomb SR, other than the "erfc" terms (which are nothing but short-range part of Ewald sum). Is there any sort of correction term which I am missing?
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