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.khoday...@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 > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.