> > > >Do we want to keep this code at all? > > Good question. > I think simulating ionic solutions with reaction-field causes large > artifacts, > unless the concentration is very high and the cut-off quite long. > PME is a much better choice.
Really? Recently, I read a paper, which shows the GRF and PME yielded results consistent with experiment by using GROMACS ...... http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/2005/109/i45/abs/jp051325a.html _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
