Keyword allowing input with quaternions. After this line, their is one line per molecule that should look like : 1 1.0 0.0 .0 1.0 0.0 0.0 0.0 (unit number, coordinates of center of mass, 4 quaternions numbers) This should be associated with the MOLECULE keyword.
number of molecules
molecules are treated as rigid bodies (this only holds for Monte Carlo exploration)
molecules are not treated as rigid except for the input file
Quaternions will be created randomly