Hi Justin, It is which part in the force field. Exactly which file I have to look to overcome this errors.
Thanks --Rama On Tue, Sep 10, 2013 at 8:25 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/10/13 9:21 AM, Rama Krishna Koppisetti wrote: > >> Hi Justin, >> >> This is another type of error while running energy minimization: >> what to do for these type of errors. >> >> > They're exactly the same as the dihedral error from before. You're using > parameters that don't exist in the force field. > > -Justin > > ERROR 218 [file topol.top, line 23487]: >> No default Ryckaert-Bell. types >> >> >> ERROR 219 [file topol.top, line 23499]: >> No default Ryckaert-Bell. types >> >> >> ERROR 220 [file topol.top, line 23500]: >> No default Ryckaert-Bell. types >> >> >> ERROR 221 [file topol.top, line 23501]: >> No default Ryckaert-Bell. types >> >> >> ERROR 222 [file topol.top, line 23502]: >> No default Ryckaert-Bell. types >> >> >> ERROR 223 [file topol.top, line 23503]: >> No default Ryckaert-Bell. types >> >> >> ERROR 224 [file topol.top, line 23515]: >> No default Ryckaert-Bell. types >> >> >> --Rama >> >> >> On Mon, Sep 9, 2013 at 5:16 PM, Justin Lemkul <jalem...@vt.edu> wrote: >> >> >>> >>> On 9/9/13 6:11 PM, Rama Krishna Koppisetti wrote: >>> >>> Hi Justin, >>>> >>>> I included 1 DMPC molecule parameters in the file should I need to >>>> include >>>> 128 molecules parameters in the file .rtp. >>>> >>>> >>>> No. Residue definitions are used any time they are encountered in the >>> coordinate file. There is no need for such redundancy at the force field >>> level. >>> >>> >>> -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
