[gmx-users] Grompp not producing tpr files

[Israel Estrada]

Thanks for the replies!

Mark, the process seemed to "finish" properly (my terminal did not close, and the command line was waiting for the next command as if it ran normally). I looked for the output file (ions.tpr) in the working directory, or any new files, but nothing was generated.

Bratin, here is what my terminal displayed,
"command line:
gmx grompp -f ions.mdp -c box.gro -o ions.tpr -p topol.top

Setting the LD random seed to 973096069
Segmentation fault (core dumped)"
The last part seems to be the error, right?

Thanks again!!
-Israel

________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Bratin Kumar Das <177cy500.bratin at nitk.edu.in>
Sent: Wednesday, June 12, 2019 7:00:55 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Grompp not producing tpr files

Hi
   Give here the full error

On Thu 13 Jun, 2019, 1:35 AM Mark Abraham, <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> Was grompp exiting normally, or crashing? Are you looking in the right
> place, for a file of the right name? :-)
>
> Mark
>
> On Wed., 12 Jun. 2019, 18:42 Israel Estrada, <israele at cpp.edu> wrote:
>
> > Hello users,
> >
> >
> > I'm running into problems trying to grompp; I'm using the command
> >
> >
> > gmx grompp -f ions.mdp -c etc_box.gro  -o ions.tpr -p topol.top
> >
> >
> > and the process shows no error messages, but output files are not being
> > generated. I'm running this on a small molecule, about 20 atoms, with the
> > hopes that I can modify OPLS parameters as needed. I'm sure the problem
> is
> > related to an error in the topology files, but I don't know how or if I
> can
> > fix this.
> >
> >
> > Any help would be greatly appreciated, thank you!
> >
> > -Israel
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