Thank you sir
On Mon, May 6, 2013 at 4:38 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 5/6/13 6:51 AM, Sathish Kumar wrote: > >> hai >> i would like to use Reax force field,can we use reax force field >> in gromacs and if any one please tell to me weather reax ff is useful for >> protein >> >> > It won't be easy to use Reax, if it's even possible. You would have to > make some serious code modifications, both in terms of energy calculations > and topology interpretation. The former could possibly be achieved with > tabulated potentials, but the latter would certainly have to be coded. > Reax doesn't use traditional bonds, and the Gromacs topology format > doesn't know how to deal with bond orders in lieu of actual bonds. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > 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> > -- regards M.SathishKumar -- 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