[gmx-users] dipole correction in 3.1-beta

Erik Lindahl lindahl at stanford.edu
Thu Feb 21 00:51:54 CET 2002


Hi David,

No, you didn't make an error - the error is in the equation, for the case when
epsilon_surface isn't 1. A factor 3 in the denominator should be replaced with
(2*epsilon+1). Then the correction should be ok for arbitrary epsilon_surface.
Do you agree?



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