You're modelling a real physical system. You've chosen some ionization states, perhaps implicitly. Do those make sense for what you are modelling? Does a charged system make sense for what you are modelling?
Mark On Fri, Jan 25, 2013 at 10:07 AM, <[email protected]> wrote: > Hello > > while executing grompp following message is seen although the .tpr file is > generated > > System has non-zero total charge: -3.000000 > Total charge should normally be an integer > > I have used AMBER99SB as the force field to prep the topology to run > implicit solvent simulation. > > How relevant is this. Or do I change the force field > > Regards > > Raghuvir > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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 [email protected]. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
