Hi Justin, Should I use R-B dihedrals for DMPC lipids rather than periodic dihedrals.
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 --Rama On Tue, Sep 10, 2013 at 5:17 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/10/13 6:10 PM, Rama Krishna Koppisetti wrote: > >> Hi, >> >> How to convert normal dihedrals to so-called Ryckaert-Bellemans >> potential dihedrals. Is there any script available for that. >> >> > Periodic dihedrals and R-B dihedrals have different functional forms. See > the manual. > > > -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
