[gmx-users] how to do neutralization?

[João Henriques]

Hi,

What system is that and what force field are you using? Building blocks
usually have integer net charges, this is rather unusual.

Cheers,
J

On Thu, Nov 2, 2017 at 10:02 AM, Seera Suryanarayana <palusoori at gmail.com>
wrote:

> Dear gromacs users
>
> I got the system non-zero total charge: -0.226000. When I add one NA ion to
> the system I got non-zero total charge: +0.77. What is the way to
> neutralize the system?
>
> Thanks in advance
> Surya
> Graduate student
> India.
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