# 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 * * Active 0 EndBlock Block Test CMAPTorsionForceTest System villin_cmap Active 0 EndBlock # Older verision of Gromacs Block Test HarmonicBondForceGromacsTest HarmonicAngleForceGromacsTest RBTorsionForceGromacsTest PeriodicTorsionForceGromacsTest NonbondedForceGromacsTest System bptiImplicitSolventGromacs sv582ImplicitSolventGromacs 1plxImplicitSolventGromacs lambdaImplicitSolventGromacs tna6ImplicitSolventGromacs dnaDickersonImplicitSolventGromacs ala10ImplicitSolventGromacs Active 0 EndBlock # Gromacs 4.5 Block #Test HarmonicBondForceGromacsTest HarmonicAngleForceGromacsTest PeriodicTorsionForceGromacsDihedralTest ObcAndNonbondedForceGromacsTest Test HarmonicBondForceGromacsTest HarmonicAngleForceGromacsTest PeriodicTorsionForceGromacsDihedralTest NonbondedForceGromacsTest #Test HarmonicBondForceGromacsTest #Test NonbondedForceGromacsTest #Test Nonbonded14OnlyForceGromacsTest #Test NonbondedLROnlyForceGromacsTest #Test HarmonicBondForceGromacsTest HarmonicAngleForceGromacsTest PeriodicTorsionForceGromacsDihedralTest NonbondedForceGromacsTest #System ubiquitinAmber94NoGbsa #System ubiquitinGromacsAmber94PME #System ubiquitinAmber94NonPeriodicGromacs #System ubiquitinAmber94PeriodicGromacs #Test ObcAndNonbondedForceGromacsTest #System ubiquitinImplicitGromacsAmber94 System ubiquitinAmber99PMEGromacs bptiWaterPMEBarostat lambdaWaterPMEBarostat active 0 EndBlock Block Test HarmonicBondForceGromacsTest HarmonicAngleForceGromacsTest PeriodicTorsionForceGromacsDihedralTest ObcAndNonbondedForceGromacsTest System ala10ImplicitGromacs bptiImplicitGromacs lysoImplicitGromacs bench101ImplicitGromacs #System spectrinImplicitGromacs Active 1 EndBlock Block Test HarmonicBondForceGromacsTest HarmonicAngleForceGromacsTest PeriodicTorsionForceGromacsDihedralTest NonbondedForceGromacsTest #System ala10ExplicitPMEGromacs System ala10ExplicitNonPeriodicGromacs Active 1 EndBlock