I am running Force on cross-linked epoxies. I would like to take differences between configurations to try and partition the total free energy into the various bins that Forcite provides (e.g. van der Waals, Coulombic, etc.). An example of the output is shown at the bottom of this message. I notice that the total energy is positive, while other components such as van der Waals in this case are negative. How should I interpret the signs of the energy components? Would it be correct to interpret the negative energy values reported under non-bond energies, e.g. van der Waals and long-range correction as repulsive interactions while the Coulombic interaction would be attractive? Any help would be appreciated.
Total energy : 13131.826868 kcal/mol
Contributions to total energy (kcal/mol):
Valence energy (diag. terms) : 15092.153
Bond : 2592.271
Angle : 13194.634
Torsion : -841.689
Inversion : 146.937
Valence energy (cross terms) : -1530.627
Stretch-Stretch : 21.153
Stretch-Bend-Stretch : -191.443
Stretch-Torsion-Stretch : -191.115
Separated-Stretch-Stretch : 21.720
Torsion-Stretch : -925.901
Bend-Bend : -51.956
Torsion-Bend-Bend : -602.709
Bend-Torsion-Bend : 389.623
Non-bond energy : -429.699
van der Waals : -1166.321
Long range correction : -45.886
Electrostatic : 782.507