<https://us-mg6.mail.yahoo.com/neo/launch?.rand=1ih3b7idug4ls#> hi Dear siesta users, I was faced with a problem? the molecules adsorbed on graphene, the length of bonding with the SIESTA creates a large distance between molecular systems routinely makes certain results, such as atom-atom bonding between molecules and atoms of graphene and strong coupling between boron and nitrogen not emerge comes The question I have is whether you can make the problem MD (CG method for relaxation) Given that the run the system is complete, Is it possible the system is not fully relax. . Please help me? the best regards, reza pedram
