, because
the uniform background charge is applied individually
to the cut-off sphere around each charge-group, instead
of to the whole system.
Berk.
From: [EMAIL PROTECTED]
Reply-To: [EMAIL PROTECTED],Discussion list for GROMACS users
To: gmx-users@gromacs.org
Subject: [gmx-users] background
I have a question about simulating metal ions in aqueous
solution at an infinite diluition: say I have a metal ion
(such as Ca2+ or Mg2+) and about a thousand water molecules.
I have to compensate the non zero charge of the system
with negative ions?
As I can understand the use of a reaction field
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