No MPI compilation. ###### # # # # ##### #### ##### #### ## ## #### # # # # # # # # # # # # # # # # # ###### # # # # # # # # # # # # # # ##### # # # # # # # # # # # # # # # # # # # # # # # # # # #### # #### # # #### ###### =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Please cite T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M. Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol: An object-oriented framework for prototyping novel algorithms for molecular dynamics. ACM Trans. Math. Softw., 30(3):237­265, 2004. =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol Version 2.0.4 jesus Mar 27 2007 02:58:04 Linux localhost.localdomain 2.6.9-42.0.8.ELsmp #1 SMP Tue Jan 23 13:01:26 EST 2007 i686 i686 i386 GNU/Linux icpc -Wall -wd810,383,981,279,444,1572 -inline_debug_info -restrict 32-bit Intel(R) C++ Compiler for 32-bit applications, Version 8.1 Build 20060606Z Package ID: l_cc_pc_8.1.038 Copyright (C) 1985-2006 Intel Corporation. All rights reserved. Version 8.1 =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Information: protomol@cse.nd.edu http://protomol.sourceforge.net =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Forces with 'VacuumCubic' topology: =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Coulomb -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff CoulombBornRadii -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff CoulombDiElec -switchingFunction C1 -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # shift swf cutoff -cutoff # algorithm cutoff CoulombSCPISM -switchingFunction C1 -algorithm NonbondedCutoff -D # Bulk solvent dielectric -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -D # Bulk solvent dielectric -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -D # Bulk solvent dielectric -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -D # Bulk solvent dielectric -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -D # Bulk solvent dielectric -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -D # Bulk solvent dielectric -cutoff # shift swf cutoff -cutoff # algorithm cutoff CoulombTable -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones Coulomb -switchingFunction C1 -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction C1 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction C1 -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones CoulombDiElec -switchingFunction C1 -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction C1 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction C1 -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones CoulombEwaldReal -switchingFunction C1 -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff LennardJones CoulombEwaldRealTable -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff LennardJones CoulombMultiGridDirect -kernel C1 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff LennardJones CoulombMultiGridDirectTable -kernel C1 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff LennardJones CoulombSCPISM -switchingFunction C1 -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -D # Bulk solvent dielectric -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction C1 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -D # Bulk solvent dielectric -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -D # Bulk solvent dielectric -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -D # Bulk solvent dielectric -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -D # Bulk solvent dielectric -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -D # Bulk solvent dielectric -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -D # Bulk solvent dielectric -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction C1 -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -D # Bulk solvent dielectric -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -D # Bulk solvent dielectric -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -D # Bulk solvent dielectric -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJonesTable -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff LennardJonesTable CoulombTable -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff MagneticDipole -switchingFunction C1 -algorithm NonbondedCutoff -chi -r -omega -phi -H -d -cutoff # C1 swf cutoff -cutoff # algorithm cutoff Alias: =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Forces with 'PeriodicCubic' topology: =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Coulomb -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff CoulombDiElec -switchingFunction Cn -algorithm NonbondedCutoff -EPS # DiElect EPSILON -D # DiElect Dval -S # DiElect Sval -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff CoulombEwaldReal -switchingFunction Cutoff -algorithm NonbondedCutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff CoulombEwaldRealTable -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff CoulombTable -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones Coulomb -switchingFunction C1 -switchingFunction Shift -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction C1 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # C1 swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff LennardJones CoulombEwaldReal -switchingFunction C1 -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -switchingFunction Cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -alpha # Ewald splitting -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff LennardJones CoulombEwaldRealTable -switchingFunction C1 -algorithm NonbondedCutoff -cutoff # C1 swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction Cutoff -algorithm NonbondedCutoff -cutoff # cutoff swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff LennardJones CoulombMultiGridDirect -kernel C1 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff LennardJones CoulombMultiGridDirectTable -kernel C1 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C1 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C2 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C3 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction Cn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff -kernel C4 -switchingFunction ComplimentCnCn -switchingFunction Cutoff -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff for table look up -s # MG smoothing distance -cutoff # cutoff swf cutoff -cutoff # algorithm cutoff LennardJonesTable -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # algorithm cutoff LennardJonesTable CoulombEwaldRealTable -switchingFunction C2 -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction Cn -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # cutoff swf cutoff -alpha # splitting -cutoff # algorithm cutoff LennardJonesTable CoulombTable -switchingFunction C2 -switchingFunction Shift -algorithm NonbondedCutoff -switchon # C2 swf switch on -cutoff # C2 swf cutoff -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction Cn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # Cn swf switch on -switchoff # Cn swf switchoff -cutoff # Cn swf cutoff -n # Cn swf smothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff -switchingFunction ComplimentCnCn -switchingFunction Shift -algorithm NonbondedCutoff -switchon # CmpCnCn swf switch on -switchoff # CmpCnCn swf switchoff -cutoff # CmpCnCn swf cutoff -n # CmpCnCn swf smoothness -cutoff # shift swf cutoff -cutoff # algorithm cutoff Alias: =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=