Hi,
Thanks for the suggestions and observations.
However, in my script I am not making assumptions about the number degrees of freedom.
I just obtain the system temperature with:
set temp [expr [analyze energy kinetic]/(0.5*$np)]
What I found is that only when I turn off the Rotation, Rotational_Inertia, Rotation_Per_Particle and Virtual_Sites I get
puts "The degrees of freedom is [degrees_of_freedom] " = 3!
If I understand well, if some of the virtual_sites features are activated, then rotation feature is automatically activated, then
% [code_info]
invalid command name "ESPResSo-3.2.0
{ Compilation status { FFTW } { CONSTRAINTS } { BOND_ANGLE_HARMONIC } { GAUSSIAN } { COMFIXED } { HERTZIAN } { PARTIAL_PERIODIC } { LENNARD_JONES } { VIRTUAL_SITES_RELATIVE } { EXTERNAL_FORCES } { TABULATED } { ROTATION } { SOFT_SPHERE } { VIRTUAL_SITES_NO_VELOCITY } { LENNARD_JONES_GENERIC } { BOND_VIRTUAL } }"
% [degrees_of_freedom]
invalid command name "6"
All the best,
Salvador