--- trunk/src/brains/Register.cpp 2008/01/23 03:45:33 1210 +++ trunk/src/brains/Register.cpp 2008/09/12 20:51:22 1292 @@ -53,6 +53,7 @@ #include "integrators/NPrT.hpp" #include "integrators/NgammaT.hpp" #include "integrators/LangevinDynamics.hpp" +#include "integrators/SMIPDynamics.hpp" #include "minimizers/MinimizerFactory.hpp" #include "minimizers/MinimizerCreator.hpp" @@ -66,6 +67,7 @@ #include "UseTheForce/SC_FF.hpp" #include "UseTheForce/MnM_FF.hpp" #include "UseTheForce/CLAYFF.hpp" +#include "UseTheForce/Amber_FF.hpp" #include "lattice/LatticeFactory.hpp" #include "lattice/LatticeCreator.hpp" #include "lattice/FCCLattice.hpp" @@ -85,12 +87,13 @@ 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")); + //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")); + ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder("Amber")); } - + void registerIntegrators() { IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NVE")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NVT")); @@ -104,8 +107,7 @@ namespace oopse { IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("NGAMMAT")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LANGEVINDYNAMICS")); IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("LD")); - - + IntegratorFactory::getInstance()->registerIntegrator(new IntegratorBuilder("SMIPD")); } void registerMinimizers() {