Hi everybody,
I have a question about modelling implicit water with LAMMPS.
I am using this pair_style:
pair_style lj/charmm/coul/charmm/implicit
but this forcefield does not have any adjustable parameter for Debye length or ionic concentration of solvent. Should I calculate dielectric constant for ionic concentration of my solvent manually and put it in the .in file with dielectric command?
Thanks a lot.