Dear All, Which is more appropriate fourier grid spacing for gromos53a6 ff with cutoffs being 0.9 and 1.4nm? 0.16 or 0.12?? I've not seen too many papers with 0.16 being used for this forcefield and that too with cutoffs like 1.0 for rcoulomb and rvdw.
Is there any problem if I use fourier spacing of 0.16 with these cutoffs(0.9,1.4)? Also,should the grid spacing be same for equilibration and production runs?? Yours sincerely, Apramita -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
