[gmx-users] Non-zero system charge

[Mark Abraham]

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 <robertjo at physics.upenn.edu> 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