I'm looking for the code that conmputes the bonds, angles, dihedrals,
impropersm, Urey-Bradley and Non-bonded terms. Can somebody tell me the
names of the source files corresponding to this. I see files names with
the phrase "charmm" in them and I'm assuming that these would belong to
Also, I need gradients for the energy function and I'm wondering if this
is being computed in LAMMPS anywhere.