hi friends I am trying to simulate a terinary complex using amber99sb ff with implicit solvent and there are these 3 parameters which i need to compute and include in gbsa.itp. as what the error says they are obviously are charged. I am new and any help is highly appreciated
GB parameter(s) missing or negative for atom type 'Zn' GB parameter(s) missing or negative for atom type 'P' GB parameter(s) missing or negative for atom type 'Cl' thanks and regards bharath
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