[gmx-users] .mdp file

[Andrea Muntean]

Hello there,

I have a practical question regarding the mdp file, regardless the
system to simulate. Before I would run a md simulation, usually we
have to run grompp in order to preprocess the system. So I obtain,
among other files, the mdout.mdp, based on the input mdp file. My
question:

If I want to run another simulation, with the same input, only with
small changes in the mdp file (like number of steps or so), do I have
to each time modify the input .mdp and run grompp, or is it enough if
I modify mdout.mdp?

Best regards,
Andrea