[gmx-users] Reasonable rcoulomb for "cut-off" method?
ohsk75 at stanford.edu
Mon Sep 27 08:56:18 CEST 2004
My system is couple of ionized polypeptides tethered on the surface.
Currently, I'm interested in electrostatic interaction among the
I've put counterions to make the net charge of the system neutral.
However I'm not sure how long "rcoulomb" I should set..
Since these molecules might interacting each other electrostatically when
set to be close to among others.
What would be the reasonable length of "rcoulomb" when "cut-off" coulomb
type is used in solvent (waters and some counter ions)?
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