[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
Reaction-field.


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?




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