Hi Abdul,
please keep Gromacs-related questions on the list. The error
is exactly as printed: You have more than 128 backups of md.log
in your directory, at this point mdrun does not make more backups
of md.log any more. You have to delete the #md.log.*# files.
Carsten
On Jun 18, 2010, at 7:24
Dear Carsten
I give the path for the topol.tpr file now the error is change which is
Fatal error:
3: Too many LINCS warnings (4254)
3: If you know what you are doing you can adjust the lincs warning threshold in
your mdp file
3: or set the environment variable GMX_MAXCONSTRWARN to -1,
3: but no
On Jun 17, 2010, at 3:42 PM, abdul wadood wrote:
> Dear Carsten
>
> the command which i give is
>
> mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s topol.tpr
>
> with this command the same error come which is
>
> Can not open file:
> 3: topol.tpr
> 3: --
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