> * Are there cases where MMFF94s should be preferred to Ghemical? Everything. The heuristic should be something like "MMFF94 if it works, UFF otherwise." Ghemical is included for backwards-compatibility -- it was much easier to implement than MMFF94.
> * Is GAFF particularly good at any systems that the others handle poorly? It's the "Generalized Amber Force Field." It should be fairly good with proteins, but I don't think it's been tuned for speed as much as MMFF94 and UFF have been. -Geoff ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_jan _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
