[gmx-users] zig-zag stacking
dan.gil9973 at gmail.com
Wed Aug 1 01:38:45 CEST 2018
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
On Tue, Jul 31, 2018 at 1:21 PM, Nagasree Garapati <
nagasree.garapati at mail.wvu.edu> 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)
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