# set number of simulation steps for all tests/systems to specifed value Block SimulationTotalSteps 1000000 SimulationTotalSteps 10000 EquilibrationTotalSteps 30000 EquilibrationTotalSteps 300 EndBlock Block Active 0 EndBlock Block Test VerletIntegratorTest #System bptiExplicitSolvent lambdaImplicitSolvent sv582ImplicitSolvent ala10ExplicitSolventCutoffPeriodic System sv582ImplicitSolvent Active 1 EndBlock # no tests for tna6 and dnaDickerson due to memory issues Block System tna6ExplicitSolvent dnaDickersonExplicitSolvent Active 0 EndBlock # inactivate all tests #Block * * #Active 0 #EndBlock # #Block * tna6ImplicitSolvent #Active 1 #EndBlock # Tests # VerletIntegratorTest # VerletIntegratorNoCutoffTest # VerletIntegratorCutoffNonPeriodicTest # VerletIntegratorCutoffPeriodicTest # VerletIntegratorEwaldTest # VerletIntegratorPMETest # VariableVerletIntegratorTest # LangevinIntegratorTest # VariableLangevinIntegratorTest # Systems # 1plxImplicitSolvent # ala10ImplicitSolvent # bptiGbviImplicitSolvent # bptiImplicitSolvent # dnaDickersonImplicitSolvent # lambdaImplicitSolvent # lysoImplicitSolvent # spectrinImplicitSolvent # sv582ImplicitSolvent # tna6ImplicitSolvent # ala10ExplicitSolvent # bptiExplicitSolvent2 # bptiExplicitSolvent # dnaDickersonExplicitSolvent # lambdaExplicitSolvent # lysoExplicitSolvent # sv582ExplicitSolvent # tna6ExplicitSolvent