No charges = no problem. You can trivially test this yourself with mdrun -rerun ;-) Manual 4.1.4 talks about what RF is doing.
Mark On Thu, May 30, 2013 at 6:38 AM, Dallas Warren <dallas.war...@monash.edu>wrote: > In a system that has no charges, should we observe a difference between > simulations using PME/Cut-offs or Reaction Field? > > >From my understanding there should not be, since there are no charges > which treatment you use shouldn't' make a difference. > > However, it does and I am trying to work out why. > > Any suggestions on the reason? > > What is it that Reaction Field is doing, does it influence anything other > than long range charge interactions? > > Catch ya, > > Dr. Dallas Warren > Drug Discovery Biology > Monash Institute of Pharmaceutical Sciences, Monash University > 381 Royal Parade, Parkville VIC 3052 > dallas.war...@monash.edu > +61 3 9903 9304 > --------------------------------- > When the only tool you own is a hammer, every problem begins to resemble a > nail. > -- > 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 > -- 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
