version 1.1122 | version 1.1123 |
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BigReal ComputeNonbondedUtil::WCA_rcut1; | BigReal ComputeNonbondedUtil::WCA_rcut1; |
BigReal ComputeNonbondedUtil::WCA_rcut2; | BigReal ComputeNonbondedUtil::WCA_rcut2; |
BigReal ComputeNonbondedUtil::WCA_rcut3; | BigReal ComputeNonbondedUtil::WCA_rcut3; |
BigReal ComputeNonbondedUtil::alchLambda; | |
BigReal ComputeNonbondedUtil::alchLambda2; | BigReal ComputeNonbondedUtil::alchLambda2; |
BigReal ComputeNonbondedUtil::alchRepLambda; | BigReal ComputeNonbondedUtil::alchRepLambda; |
BigReal ComputeNonbondedUtil::alchDispLambda; | BigReal ComputeNonbondedUtil::alchDispLambda; |
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Fep_ElecOn = simParams->alchFepElecOn; | Fep_ElecOn = simParams->alchFepElecOn; |
Fep_Wham = simParams->alchFepWhamOn; | Fep_Wham = simParams->alchFepWhamOn; |
alchThermIntOn = simParams->alchThermIntOn; | alchThermIntOn = simParams->alchThermIntOn; |
alchLambda = alchLambda2 = 0; | alchLambda2 = 0; |
lesOn = simParams->lesOn; | lesOn = simParams->lesOn; |
lesScaling = lesFactor = 0; | lesScaling = lesFactor = 0; |
Bool tabulatedEnergies = simParams->tabulatedEnergies; | Bool tabulatedEnergies = simParams->tabulatedEnergies; |