GROMACS version: 2023.3
GROMACS modification: Yes
Here post your question Command lines :
gmx grompp -f EminVac1.mdp -ignh -c 2L86_in_Box.gro -p 2L86.top -o 2L86_EminVac1.tpr -maxwarn 1 gmx mdrun -v -deffnm 2L86_EminVac1
I get this message:
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
How can I solve this issue?
Thanks