running minimisation prior to simulation,previous charge for the system was
13.37,added Cl- 0 ions, present charge is 0.378,its not getting zero and
the error is some what like this *"ERROR: The unperturbed charge of the
unit: 0.378600 is not integral" .*How to neutralize the system charge
wise.Help
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Received on Tue Mar 02 2010 - 22:00:04 PST
