On Aug 3, 2006, at 3:48 AM, Rzepa, Henry wrote: > "Open a PDB file, click on "Force Field" to load a force field and > click "Compute/Atomic Typing" to assign force field to atoms. More > functional development is needed for the force field parameters." That's just saying that the atom typing is performed for various force fields. That's not difficult, you can already do that in Open Babel. It doesn't imply that the code actually implements any force fields. The "compute" page you pointed out looks more like an interface to Gaussian or Dmol3, etc. Cheers, -Geoff