[gmx-users] system net charge 0f -1.6

[Mark Abraham]

Stefan Schöbel wrote:
> Hi,
> 
> I am new to Gromacs and got an uneven system charge when I run grompp the first time. After setting the box with editconf I the system had a charge of 16. Does anybody know what happend?

We'd have a better chance if you'd told us the kind of system you were 
running on, and the command lines you used.

> How do I have to handle uneven charges, can I added 1.6 counterions? I don't think so.

Probably, the termini are being treated wrongly. Have a look at the 
resulting structures.

Mark