My understanding is yes. But I think it is still customary to include counterions unless you have some good reason for not doing so. Otherwise, it uses (I think) a uniform background neutralizing charge.
On 3/31/06, Bob Johnson <[EMAIL PROTECTED]> wrote: > Hello everyone, > I am using PME to handle electrostatics. What happens if I run a simulation > with > a non-zero net charge? Does GROMACS automatically provide some sort of > background charge to neutralize the system? > Thanks, > Bob Johnson > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > 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/mailing_lists/users.php > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
