[gmx-users] non-zero total charge

[Dallas Warren]

http://www.gromacs.org/Documentation/Errors?highlight=periodicity#System_has_non-zero_total_charge

On Fri, 30 Nov. 2018, 5:14 am Ali Khodayari <
ali.khodayari at student.kuleuven.be wrote:

> Dear gmx community,
>
>
>
> I am getting a note before performing the energy minimization step, from
> grompp that "System has non-zero charge: -0.001135". The system is a
> crystalline cellulose, built in Amber, using GLYCAM06 force field and the
> topology and coordinate files have been converted to gromacs format using
> acpype. The system has zero charges with/without solvation. How important
> is
> this note? Is this a large value or I can just neglect it and continue with
> NVT?
>
> Thank you for your kind replies.
>
> Best
>
> Ali
>
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