On Thu, Feb 2, 2012 at 7:07 AM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > Madhur Sachan wrote: > >> Hi, >> Can anyone tell me methods to generate gromacs compatible parameters for >> chitosan? >> >> > You need to choose a force field for which you will do the > parameterization, and then derive them in accordance with existing force > field methodology. This procedure is not simple. > > http://www.gromacs.org/**Documentation/How-tos/**Parameterization<http://www.gromacs.org/Documentation/How-tos/Parameterization> > > Putting the parameters in suitable format for use with Gromacs requires a > thorough understanding of Chapter 5 of the manual. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > 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> > thanx again justin..
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