--- trunk/src/brains/Register.cpp 2006/09/01 19:16:02 1032 +++ trunk/src/brains/Register.cpp 2007/07/09 21:03:53 1153 @@ -64,6 +64,7 @@ #include "UseTheForce/ForceFieldCreator.hpp" #include "UseTheForce/SHAPES_FF.hpp" #include "UseTheForce/SC_FF.hpp" +#include "UseTheForce/MnM_FF.hpp" #include "UseTheForce/CLAYFF.hpp" #include "lattice/LatticeFactory.hpp" #include "lattice/LatticeCreator.hpp" @@ -76,7 +77,7 @@ #include "openbabel/pdbformat.hpp" //#include "openbabel/povrayformat.hpp" //#include "openbabel/smilesformat.hpp" -#include "openbabel/tinkerformat.hpp" +//#include "openbabel/tinkerformat.hpp" #include "openbabel/xyzformat.hpp" @@ -95,6 +96,9 @@ namespace oopse { ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SHAPES")); //Well if EAM worked... then Sutton-Chen should work like a CHARMM(Hopefully not). ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("SC")); + //Well if Sutton-Chen worked... then lets just mangle all of the forcefields together in MnM. + //That sounds like a good idea right...... + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("MnM")); ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("CLAY")); } @@ -131,7 +135,7 @@ namespace oopse { static OpenBabel::PDBFormat pdbFormatInstance; //static OpenBabel::PovrayFormat povaryFormatInstance; //static OpenBabel::SMIFormat smilesFormatInstance; - static OpenBabel::TinkerFormat tinkerFormatInstance; + //static OpenBabel::TinkerFormat tinkerFormatInstance; static OpenBabel::XYZFormat xyzFormatInstance; }