Hi, Look at the whole molecule topology. Don't ignore any warnings.
Mark On 26/04/2015 9:38 am, "Eric Smoll" <ericsm...@gmail.com> wrote: > Hello Gromacs Users, > > I have constructed a multi-component solution and, during energy > minimization, one molecule type is radically deforming under ~ 0.2 ps. All > molecules of this type "explode" simultaneously. Looking over the topology, > all the atoms in this molecules appear to have correct forcefield > assignments. I am writing to ask if anyone might have a suggestion on how I > can identify the origin of this problem. > > Best, > Eric > -- > 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.
