Hi Sergio, A side remark: IBI is nothing else but a numerical scheme which converges your CG rdf to the reference one. Nobody ever proved that it is supposed to converge. In fact people do know that there might be difficulties in converging to the target rdf for multicomponent mixtures. Try to use small scaling factors or/and converge rdfs step by step - first A-A, then B-B, ...
You are entering a user-steered expert-driven part of coarse-graining. Good luck ;) Denis -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
