Hi, I haven't tried it, but I wonder if the gmx editconf utility can be used to translate groups of atoms, where the group is defined with an index file (make_ndx).
Dan On Tue, Jul 31, 2018 at 1:21 PM, Nagasree Garapati < [email protected]> wrote: > Hi All > > > I am trying to look at the pore space availability and property > differences between supercells created by stacking unitcells on top of each > other and by zigzag stacking. > > In Gromacs genconf can be used to create a super cell by stacking unit > cells on top of each other, is there a way to create zig zag stacking? > > > Thank You > > With Regards > Nagasree Garapati > Research Assistant Professor > Dept of Chemical and Biomedical Engineering > West Virginia University > PO Box 6102 > Morgantown, WV 26506-6102 > 304 293-5028<tel:304%20293-5028>(O) > 304 276-3674(M) > > -- > 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 [email protected]. > -- 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 [email protected].
