Run gmx_mpi with Updated LJ Parameters and Partial Charges

Hello Gromacs users,

I would like to run a set of simulation with updated LJ parameters and partial charges every step, I wonder if there is a way to do that. Or if it is not possible with Gromacs, where can I find the source code for LJ and electrostatic force calculation. Thank you in advance!


if you want to scale the LJ or the partial charges every step, you can use the free energy code.
Best regards