Hi, How to convert normal dihedrals to so-called Ryckaert-Bellemans potential dihedrals. Is there any script available for that.
Thanks Rama On Tue, Sep 10, 2013 at 3:44 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/10/13 4:35 PM, Rama Krishna Koppisetti wrote: > >> H >> i Justin, >> >> The force field that I constructed with OPLS + Berger lipids >> . >> Similar to >> your Bilayer tutorial. >> >> > Presumably you are following Chris Neale's half-epsilon, double pairlist > method then? In any case, you're defining the same interaction multiple > times using different parameters. Something has gone wrong somewhere along > the way. > > -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
