[gmx-users] How to solve this fatal error?
mark.j.abraham at gmail.com
Sun Jan 21 00:59:53 CET 2018
Like the message says, you have mishandled the order of the elements of
your topology. Look at the examples in the documentation.
On Sun, Jan 21, 2018, 00:40 حلیمه میرسالاری <h.mirsalari66 at gmail.com> wrote:
> Dear all
> l am using gromacs 4.5.5 version for simulation carbon nanotubes in tip3p
> water with charmm27 force feild.
> I used grompp for energy minmization,but l encountered with
> fatal error:
> [ file tip3p.itp, line 40]:
> Atom index (1) in settles out of bounds (1-0).
> This probably means that you have inserted topology section "settles"
> in a part belonging to a different molecule than you intended to.
> In that case move the "settles" section to the right molecule.
> Thanks a lot
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * 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-request at gromacs.org.
More information about the gromacs.org_gmx-users