[gmx-users] Grompp not producing tpr files

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Thu Jun 13 04:01:11 CEST 2019


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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