Paper explaining dispersion correct, and what it is: http://dx.doi.org/10.1021/jp0735987
Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. On Thu, 8 Nov 2018 at 04:51, Farial Tavakoli <faryal.tavak...@gmail.com> wrote: > > Dear gmx users > > I am trying to simulate my complex using amber99sb ff. There is no amber > tutorial in gromacs. I need to know how dispersion correction set in the > .mdp files . I can not understand the definitions of DispCorr in mdp > option. Should I put it on EnerPres or no ? > Would you please clarify me and explain it in short? > > Thanks in advance > Farial > -- > 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.
