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I’m trying to run a simulation , i have download CHARMM GUI files and untared them.then i tried to run the minimization.
Minimization
gmx grompp -f step6.0_minimization.mdp -c step5_input.gro -r step5_input.gro -p topol.top -n index.ndx -o step6.0_min_prova.tpr -maxwarn 1
gmx mdrun -v -deffnm step6.0_min_prova -nb gpu -ntmpi 1
i’ve got this error message
error topol.
Error in user input:
Invalid input values
In option s
Required option was not provided, and the default file ‘topol’ does not
exist or is not accessible.
The following extensions were tried to complete the file name:
.tpr
This means mdrun can’t find the step6.0_min_prova.tpr file. Were there any issues with the previous grompp step? Could you copy-paste all the notes/warnings/error messages output by both commands?