[gmx-users] Non-neutral system

[Ali Alizadeh]

Dear All users,

I want to simulate a non-neutral system including cations with gromacs. It
can be possible?

I want to use Ewald summation for long for calculating range range
interactions.

I see in Error page of gromacs:

Note for PME users: It is possible to use a uniform neutralizing
background charge in PME to compensate for a system with a net
background charge. There is probably nothing wrong with this in
principle, because the uniform charge will not perturb the dynamics.

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It means I can not use Ewlad for charged systems?

Besides, I can not realize that how neutralization can be done by
uniform neutralizing background charge. Which part of gromacs do it?


-- 
Sincerely

Ali Alizadeh