[gmx-users] Problem in generation of tpr file
nedomacho at gmail.com
Mon Jun 11 10:53:53 CEST 2018
Grompp tells you exactly what to do:
Too many warnings (1), grompp terminated.
If you are sure all warnings are harmless, use the -maxwarn option.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors"
Read the text of the warning and if you decide it's not serious, add something like -maxwarn 2 at the end of your grompp line.
On 6/11/2018 2:48 AM, Rahma Dahmani wrote:
> Hi gmx users,
> I am performing Molecular Dynamic simulations of protein-ligand complex by
> following steps shown in "GROMACS Tutorials. While moving on to production MD,
> i coudn't generate the tpr file, in fact i only activated velocity
> generation parameter in my md.mdp file, and it shows this error:
> Program grompp, VERSION 4.5.7
> Source code file:
> /home/rahma/Bureau/CODE/GROMACS/gromacs-4.5.7/src/kernel/grompp.c, line:
> Fatal error:
> Too many warnings (1), grompp terminated.
> If you are sure all warnings are harmless, use the -maxwarn option.
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> when velocity generation was off i didn't get this error.....
> can anyone help me please
> Thank you!
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