Hi Justin, These type of dihedrals I'm using now, Is it correct format.
[ dihedral s ] ; GROMOS improper dihedrals ; ai aj ak al funct angle fc LH1 LOS LC2 LC2 2 35.26 334.72 LC LOS LO LP2 2 0.00 167.36 LC LOS LO LP2 2 0.00 167.36 [ dihedral s ] ; ai aj ak al funct ph0 cLP mult LC3 LNL LH2 LC2 1 0.00 3.77 3 LNL LH2 LC2 LOS 1 180.00 5.86 1 LH2 LC2 LOS LP 1 0.00 3.77 3 LC2 LOS LP LOS 1 0.00 3.19 3 LP LOS LC2 LH1 1 0.00 3.77 3 LOS LC2 LH1 LC2 1 0.00 5.92 3 LC2 LH1 LOS LC 1 0.00 3.77 3 T hanks Rama On Wed, Sep 11, 2013 at 8:17 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/11/13 9:05 AM, Rama Krishna Koppisetti wrote: > >> Hi Justin, >> >> Should I use R-B dihedrals for DMPC lipids rather than periodic >> dihedrals. >> >> > You should use whatever the force field tells you. > > > I'm getting an Error message like, >> >> ERROR 18815 [file topol.top, line 54180]: >> No default Ryckaert-Bell. types >> >> >> ERROR 18816 [file topol.top, line 54181]: >> No default Ryckaert-Bell. types >> >> > What are the dihedrals on these lines? > > > -Justin > > -- > ==============================**==================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalemkul@outerbanks.umaryland.**edu <jalem...@outerbanks.umaryland.edu> | > (410) > 706-7441 > > ==============================**==================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists