# In next two blocks, deactivate the GbsaObcForceCutoffNonPeriodicTest # and GbsaObcForceCutoffPeriodicTest tests for all systems and then activate for # only the spectrin system. For other systems, the box sizes are too small for the # cutoff required to get reasonable results Block Test GbsaObcForceCutoffNonPeriodicTest GbsaObcForceCutoffPeriodicTest Active 0 EndBlock Block Test GbsaObcForceCutoffNonPeriodicTest GbsaObcForceCutoffPeriodicTest System spectrinImplicitSolvent Active 1 EndBlock Block System bptiGbviImplicitSolvent bptiExplicitSolvent2 tna6ExplicitSolvent dnaDickersonExplicitSolvent Active 0 EndBlock Block * * Active 0 EndBlock Block #Test HarmonicBondForceTest HarmonicAngleForceTest PeriodicTorsionForceTest RBTorsionForceTest Test HarmonicBondForceTest #System sv582ImplicitSolvent System bench2 Active 0 EndBlock Block #Test NonbondedForceNoCutoffTest NonbondedForceCutoffNonPeriodicTest NonbondedForceCutoffPeriodicTest NonbondedForcePMETest #Test NonbondedForceNoCutoffTest #Test GbsaObcForceCutoffNonPeriodicTest #Test GbsaObcForceNoCutoffTest GbsaObcForceCutoffNonPeriodicTest GbsaObcForceCutoffPeriodicTest #Test GbsaObcForceNoCutoffTest #Test HarmonicBondForceTest NonbondedForce GBSAOBCForce HarmonicAngleForceTest PeriodicTorsionForceTest RBTorsionForceTest #Test AmoebaUreyBradleyForceTest #Test AmoebaGeneralizedKirkwoodForceTest #Test AmoebaHarmonicBondForceTest AmoebaHarmonicAngleForceTest AmoebaHarmonicInPlaneAngleForceTest AmoebaOutOfPlaneBendForceTest #Test AmoebaPiTorsionForceTest Test AmoebaTorsionForceTest Test AmoebaTorsionTorsionForceTest #Test AmoebaStretchBendForceTest #Test AmoebaWcaDispersionForceTest Test AmoebaVdwForceTest Test AmoebaMultipoleForceTest #Test AmoebaOutOfPlaneBendForceTest #System ubiquitinAmoeba System villinAmoeba #System villinAmoeba alatetAmoeba ubiquitinAmoeba diala-DAmoeba diala-LAmoeba ammoniaAmoeba argAmoeba #System ammoniaAmoeba #System bench2 #System diala-DAmoeba diala-LAmoeba Active 1 EndBlock # Tests # HarmonicAngleForceTest # PeriodicTorsionForceTest # RBTorsionForceTest # NonbondedForceNoCutoffTest # NonbondedForceCutoffNonPeriodicTest # NonbondedForceCutoffPeriodicTest # NonbondedForceEwaldTest # NonbondedForcePMETest # GbsaObcForceNoCutoffTest # GbsaObcForceCutoffNonPeriodicTest # GbsaObcForceCutoffPeriodicTest # Systems # 1plxImplicitSolvent # ala10ImplicitSolvent # bptiGbviImplicitSolvent # bptiImplicitSolvent # dnaDickersonImplicitSolvent # lambdaImplicitSolvent # lysoImplicitSolvent # spectrinImplicitSolvent # sv582ImplicitSolvent # tna6ImplicitSolvent # ala10ExplicitSolvent # bptiExplicitSolvent2 # bptiExplicitSolvent # dnaDickersonExplicitSolvent # lambdaExplicitSolvent # lysoExplicitSolvent # sv582ExplicitSolvent # tna6ExplicitSolvent