What formula is used to calculate the dielectric constant?

User discussions
1

GROMACS version:2020.2
GROMACS modification: No

Dear all,

I wonder what formula is used to calculate the dielectric constant by gmx current? Like the formula below?

Screenshot from 2020-08-11 09-43-45

2

Hi,

gmx dipoles is using the formula (you have reported) to calculate dielectric constant
gmx current is doing something more complex and it targets systems where you have a current (but I do not know the formula). You could have a look at the code.
For systems without current, I suggest to use gmx dipoles.

Best regards
Alessandra