Hi Justin, Thanks for the reply. The part I modified is the implicit solvent part, particularly the Still model. Also I modified a part of nonbonded kernel, not sse ones. So I assumed I have to link GROMACS with OPENMM using customGBforce?
Is there a guide of how currently GROMACS is linked to OPENMM? Thanks! Chi-cheng On Fri, Apr 29, 2011 at 3:08 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Chi-cheng Chiu wrote: > >> Hi Gromacs users & developers, >> If I modified gromacs, will my modification works if I complied it with >> OPENMM and use GPU? >> > > Presumably, if you have written sound code that uses compatible functions > that are actually implemented in the OpenMM library, then yes. If you want > a more specific answer, you'll have to be more specific about what "modified > Gromacs" actually means. > > -Justin > > Thanks! >> >> Regards, >> >> Chi-cheng >> >> > -- > ======================================== > > 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 > > ======================================== > -- > 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 >
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