Sorry.., Justin Yes.. It is a sequence of atom numbers from DMPC atoms. The errors are coming from all DMPC atoms dihedrals only not by protein dihedrals.
--Rama On Wed, Sep 11, 2013 at 9:08 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/11/13 10:06 AM, Rama Krishna Koppisetti wrote: > >> Those lines are related to DMPC lipid dihedrals. >> >> > I know that much. I am trying to extract some actual detail here so I can > help you reach a conclusion. The error indicates line numbers in the > topology. On those line numbers are a sequence of atom numbers, which can > be mapped back to atom types. I'm asking you what that specific > information is. > > -Justin > > 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 <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> >>> <htt**p://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<h**ttp://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> >>> <http://**www.gromacs.org/Support/**Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >>> > >>> >>> > -- > ==============================**==================== > > 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
