Closed mphoward closed 2 years ago
The (A,B,C) parameters should be the lengths of the lattice vectors:
(A,B,C)
https://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/
which in HOOMD (https://hoomd-blue.readthedocs.io/en/stable/box.html) means that they need to include the tilt factors in addition to the base (Lx,Ly,Lz).
(Lx,Ly,Lz)
h/t @ksil
The
(A,B,C)parameters should be the lengths of the lattice vectors:https://www.ks.uiuc.edu/Research/vmd/plugins/pbctools/
which in HOOMD (https://hoomd-blue.readthedocs.io/en/stable/box.html) means that they need to include the tilt factors in addition to the base
(Lx,Ly,Lz).h/t @ksil