Dear Jang, We recently performed CG simulations with 5 beads ( http://onlinelibrary.wiley.com/doi/10.1002/mats.201500079/pdf). This might be helpful.
Chandan On Thu, Sep 29, 2016 at 4:46 PM, Chang Woon Jang <changwoonj...@gmail.com> wrote: > Dear Votca users, > > I have long performed IBI for optimizing coarse-grained potentials with > six coarse-grained bead types. I mapped a system consisting of Epon and > Jeffamine diamine polymer system. > > So far, I do not have the satisfactory non-bonded potentials for this > system. IBI method provided by Votca dose not achieve good convergence > between target RDFs and optimized RDFs. I have found a book chapter and it > said "IBI and IMC main disadvantage is the necessity for frequent > re-evaluation of radial distribution functions and the increasing > complexity for a system with more than five coarse-grained sites." > > It sounds that it is difficult to achieve good matching RDFs via IBI with > more than 5 bead types. > > Have you ever used more than 5 bead types to optimize potentials using IBI > and achieved good results? > > > Ref: Coarse-grained intermolecular potentials derived from the effective > fragment potential: Application to water, benzene, and carbon > tetrachloride. > > > Thank you. > > Best regards, > Changwoon Jang, > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. > -- Chandan Kumar Choudhury Post Doctoral Fellow Clemson University South Carolina USA *"All work and no play makes Jack a dull boy...”* -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
