[gmx-users] Grompp not producing tpr files

Mark Abraham mark.j.abraham at gmail.com
Wed Jun 12 22:04:37 CEST 2019


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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