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
