Hi, On Tue, Jan 5, 2016 at 4:42 AM Pallavi Banerjee < pallavis...@students.iiserpune.ac.in> wrote:
> Hi Mark, > > Thank you for your reply. > > I want to implement this wacky idea because a part of the potential of the > system needs to be input in a tabulated form (referring to Iterative > Boltzmann Inversion) and the other part (solvent-solvent) interaction is > defined by sigma and epsilon, which I again input in the form of a table > since GROMACS does not support both tabulated and non-tabulated at the > same time. > Sure it does. See manual 6.10 > So, then, am I right to understand that eqn 4.28 of manual-5.1 is the > functional form of potential of the force-switch method, and that there is > no documentation provided for potential-switch? > Yes, as already said. Mark > Many thanks! > > -Pallavi Banerjee > -- > 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.