Changes in input parameter files

GROMACS version: 2021
GROMACS modification: Yes/No
Here post your question : In the gromacs tutorials page for a protein in water, in the input parameter files from energy minimization to npt equilibration steps, its given for 100 ps and for the production run it’s given for 1 ns. I want to run the MD simulation for 100 ns. So do I need to change this time step in all input parameter files or only in that of MD production run step?

You only need to change the input parameters of the simulation you want to extend. So, if you want to extend the production run from 1 ns to 100 ns you only need to modify the production run mdp file.

Thank you for the help.