Hi, Please don't spam the same question. If nobody knows the answer, maybe you should think about a different question? I read this as "the documentation says I can do what I want, so can I do what I want?"
Mark On Wed, Mar 21, 2018 at 3:02 PM Apramita Chand <apramita.ch...@gmail.com> wrote: > Dear GROMACS users, > I want to use the geometric mean of both sigma (sigma i sigmaj)and > epsilon(epsilon i epsilon j) as a combination rule in my simulation. > According to the combination rules in the manual, the combination 3 > incorporates Vii=sigma and Wii= epsilon along with geometric mean of Ci(6) > Cj(6) and Ci(12)Cj(12) terms. > So can I use combination 3 in the [defaults] section of the forcefield.itp > ? > If not, how do I achieve this particular combination? > > Thanking you, > Yours sincerely, > Apramita > -- > 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.