Hi, I don't think so, because it's trivial - it's defined as the value of the potential at the distance of the cutoff.
Mark On Thu, 10 Aug 2017 19:44 Natalie Paige Schieber < natalie.schie...@colorado.edu> wrote: > Hi all, > > I am using the potential-shift-verlet keyword for the coulomb-modifier. I > am attempting to find the specific equation for this treatment of the > electrostatics. In the manual for the most recent version of Gromacs I > found an equation for potential-switch (eq 4.30) but not shift. Is there > somewhere I can find the corresponding equation for potential-shift? > > Thanks, > Natalie > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
