Hi, On Mon, Oct 5, 2015 at 12:49 PM Timofey Tyugashev <tyugas...@niboch.nsc.ru> wrote:
> IIRC, Mark Abraham wrote that there are some issues with implementation > of vsites with amber ffs in GROMACS. > Shrug, that's meaningless without context. > Any more details? Is it possible to use amber99sb-ildn with -vsite > option to speed up calculation? > You can use vsites with AMBER force fields to use a larger time step. Mark > -- > 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.
