Thank you Sir! With Regards MKS
On Mon, Jan 17, 2011 at 5:37 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Kavyashree M wrote: > >> Dear gromacs users, >> >> while using grompp I got a message : >> >> " System has non-zero total charge: -9.999998e-01" >> >> This is non integral charges. What should I add using genion? >> +1 charge? Why am I getting such non integral charges? >> > > Please see FAQ #30. > > http://www.gromacs.org/Documentation/FAQs > > -Justin > > > I also checked for any breakage in the chain and found no such >> ends. >> >> Kindly suggest >> >> With Regards >> MKS >> >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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