[gmx-users] core dumped

[rabee khorram]

Hello;

Thank you Justin for your answer.

I have mailed fe2o3.pdb file in this gmail for you.
  in atomname2type.n2t, for Fe-O bonds, I have used Fe type From the
atomtype.atp of charmm36 force field,

:   (FE  55.84700 ;     heme iron 56)

  is it correct?



On Tue, Jan 15, 2019 at 5:30 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 1/15/19 6:47 AM, rabee khorram wrote:
> > Segmentation fault (core dumped)?
> > *Hello everyone, I am runnig nano Fe2O3 structure with PEN drug with
> > gromacs5.*
>
> How did you parametrize and validate these species?
>
> > *but in step :*
> >
> > * gmx mdrun -v -deffnm nvt *
> >
> > * I am getting an error : step 2600, remaining wall clock time: 60 s
> > Segmentation fault (core dumped)*
> >
> > *and don't create nvt.gro.!*
> >
> > *can you explain to me what is my problem?*
> > *thank you very much.*
> http://manual.gromacs.org/current/user-guide/terminology.html#blowing-up
>
> -Justin
>
> --
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> Justin A. Lemkul, Ph.D.
> Assistant Professor
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