yeah, it says PME cant be excluded using energy exclusion, so I am wondering about any other way to exclude it?
On Tue, May 3, 2011 at 5:01 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Sikandar Mashayak wrote: > >> Hi >> >> I want to compute only the non-bonded ( LJ + EL) interactions between >> Protein and Solvent and exclude non-bonded interactions between Protein >> Protein & SOL SOL. >> But energy exclusion group does not necessarily exclude the non-bonded >> electrostatic interactions while using PME option for coulombtype. >> So I am just wondering if I were to compute electrostatic interactions >> between just Protein SOL with PME, how can I do that? >> >> > Hasn't this already been answered? > > http://lists.gromacs.org/pipermail/gmx-users/2011-April/060594.html > > -Justin > > thanks >> sikandar >> >> >> > -- > ======================================== > > 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 >
-- 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
