Dear everyone,

We know that the van der Waals energy is discribed by LJ-96 function in COMPASS forcefield, and the van der Waals energy consists of dispersion and repulsive energy, but Matierals Studio  does not show the function forms of the two energy, can you show me the function forms ?

Also, in many articals, the dispersion energy is discribed as  the following form:

I want to know whether this form can express the dispersion energy in LJ96 function in COMPASS forcefield ?

Thank you first.

qinjian