[gmx-users] difference between the tabulated and Cut-off Electicstatics potentials

Wu Chaofu xiaowu759 at gmail.com
Sun Oct 7 02:08:11 CEST 2012

Dear gmxers,
I am trying to perform two separate const-NPT MD simulations using
tablulated and Cut-off Electrostatics potentials. I find that for the
two cases the density of system is stablized at different values (1200
vs. 1400 g/cm3). Since the partial charges are all zeros in the top
files, I assume the two potentials generate same results. But why not
as expected? Could you please give me some hints?
Yours sincerely,
Chaofu Wu

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