Probelms using PPPM & comparison of Ewald and PPPM

Axel has commented on this before.
Generally there is no need to set the dielectric constant
explicitly, I believe.


Yes, leave the dielectric constant at 1 if you've got explicit water. A value around 80 for the dielectric constant would only be needed if you want a very simple implicit water background.


I’m wanting a simple explicit water so 80 is the choice for me.



No, it is not. Axel.

Oh. So 1 is the choice for me?