Dear all,

As I understand the manual, the various components of the pressure tensor include contributions from the intramolecular forces, that is dihedral, angle and bond forces. Therefore, I wonder whether it is possible to calculate the pressure tensor without these contributions, so that the pressure tensor components only include the pair forces and long range forces and the kinetic contributions? Moreover, is it possible to calculate a molecular pressure tensor rather than an atomic pressure tensor, including the kinetic contributions, pair forces and long range forces?

Thank you in advance for an answer

Sten Sarman