[gmx-users] zig-zag stacking

Nagasree Garapati nagasree.garapati at mail.wvu.edu
Tue Jul 31 19:21:28 CEST 2018

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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