[gmx-users] kappa in Generalized reaction field

Tomoshi Kameda kameda-tomoshi at aist.go.jp
Mon May 15 10:28:27 CEST 2006

Hi all

I'm going to ask about the definition of kappa in Generalized

In manual-3.3.pdf and manual-3.2.pdf (eq 4.17), 
kappa**2 = ...SUM (c_i * z_i)

But, in Ref.51 (eq 5), 
kappa**2 = ...SUM (c_i * (z_i)**2)

Is eq.4.17 correct?

More information about the gromacs.org_gmx-users mailing list