Marcella,
If so, I was afraid I didn't consider the section.
Here is my simulation output on calculation of degrees of freedom.
DOF| Calculation of degrees of freedom
DOF| Number of atoms 100
DOF| Number of intramolecular constraints 0
DOF| Number of intermolecular constraints 0
DOF| Invariants (translations + rotations) 3
DOF| Degrees of freedom 297
The number of the translational and rotational degrees of freedom seem to be 3×(100-1) = 297, 0×(100-0) = 0.
I calculated the temperature considering the number of translational degrees of freedom (3) '1/2*m*v^2 = 3/2*kb*T'.
However I didn't consider the number of rotational degrees of freedom because it seemed to be 0.
Kind regards
Matsuo