[image: nonbonded.png] 在2020年12月29日星期二 UTC+8 下午1:15:22<mengyy zhou> 写道：
> Dear all, > > I performed an IBI iteration of non_bonded interaction on 400 hexane > molecules using VOTCA and Lammps, After 1000 steps of iteration, there is > still no convergence. I have tried to modify parameters such as cutoff, > table_bins, scaling, etc.. The following is a comparison of the target and > the fitted radial distribution function of one pair of beads . > Would you please let me know what could be the reason? > > Thanks. > Regards, > Zhou > > > -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/0a7c1725-b894-485e-9057-979dba297ec7n%40googlegroups.com.
