[gmx-users] non-zero total charge

[Ali Khodayari]

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