David Mobley wrote:
My understanding is yes. But I think it is still customary to include
counterions unless you have some good reason for not doing so.
Otherwise, it uses (I think) a uniform background neutralizing charge.
On 3/31/06, Bob Johnson <[EMAIL PROTECTED]> wrote:
Hello everyone,
I am using PME to handle electrostatics. What happens if I run a simulation with
a non-zero net charge? Does GROMACS automatically provide some sort of
background charge to neutralize the system?
Yes. See my reply to a previous thread here
http://www.gromacs.org/pipermail/gmx-users/2006-March/020265.html
Mark
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