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
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