[gmx-users] non-zero total charge

Ali Khodayari ali.khodayari at student.kuleuven.be
Thu Nov 29 19:14:11 CET 2018

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

Thank you for your kind replies.



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