[gmx-users] Error: Atoms in the .top are not numbered consecutively

[변진영]

Thank you Sir. It is my fault..;;
I solved my problem. I appreciated your kindness answer.

2019년 12월 10일 (화) 오후 9:52, Justin Lemkul <jalemkul at vt.edu>님이 작성:

>
>
> On 12/10/19 2:15 AM, 변진영 wrote:
> > Thank you Sir,. I found the typo in my topol.top file.
> > So I changed the 'InflatGRO' to 'InflateGRO' and prompted the grompp
> module.
> > However I have got the new error:
> >
> > Fatal error:
> > number of coordinates in coordinate file (system_inflated.gro, 6538)
> >               does not match topology (topol.top, 138)
> >
> > I might know why both the coordinate file (system_inflated.gro) and
> > topology file(topol.top) have the same number of coordinates.
> > But in tutorial the system_inflated.gro file is produced by concatenating
> > the KALP_newbox.gro file and dppc128_whole.gro file, so it's no wonder
> that
> > the number of coordinates in system_inflated.gro file is different with
> the
> > number of coordinates in topol.top file which is produced by prompting
> the
> > gmx pdb2gmx module.
> >
> > I don' t know what I missed.. Any idea as to what cause this problem?
>
> You have to update the topology after adding DPPC. Follow the tutorial
> exactly; it tells you this.
>
> -Justin
>
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>
> Justin A. Lemkul, Ph.D.
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