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A second example the ethane crystal

This input was used in checking our crystal version and is the standard for this purpose in the present development phase. [Pg.190]

All interactions, one torsion per bond, L-J functions with A and B, one molecule , save coordinates, read parameters from the following lines. [Pg.190]

Lattice constarats note constraint gamma position unit on next. [Pg.191]

This line has no influence, as there are no atoms on the site symmetry element. [Pg.191]

Site symmetry operation generates four atoms. [Pg.191]


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