Hi, I have no idea about this code, but you might have more luck when starting new work choosing a recent version, which may have bugs fixed...
Mark On Wed, Jun 15, 2016 at 11:06 AM Luca Banetta <luca.bane...@gmail.com> wrote: > Dear all gromacs users, > > I am trying to run a shell molecular dynamics simulation using GROMACS > version 4.6.5. > > First of all a shell particle has been introduced in an OPLS-AA force > field. > > Unfortunately, immediately after the mdrun has been started this fatal > error appeared: “Something weird with shells. They may not been bonded to > something”. I try to understand the error taking a look at the source > code “shellfc.c” but I don’t really imagine a possibile cause for this > situation. > > > > Can someone suggest me a possible origin of this mistake? > > Really looking forward to hearing from anyone soon. > > Best regards. > > Luca > > < > https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail > > > Mail > priva di virus. www.avast.com > < > https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail > > > <#DDB4FAA8-2DD7-40BB-A1B8-4E2AA1F9FDF2> > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
