--- trunk/OOPSE-4/src/utils/OOPSEConstant.hpp 2006/05/17 21:51:42 2759 +++ trunk/OOPSE-4/src/utils/OOPSEConstant.hpp 2008/11/24 22:01:12 3478 @@ -46,10 +46,20 @@ namespace oopse { namespace OOPSEConstant { const RealType kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K) - const RealType kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K + const RealType kB = 8.31451e-7; // boltzmann constant amu*Ang^2*fs^-2/K const RealType energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2 - const RealType pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm + const RealType rotationalEnergyConvert = energyConvert*2.0*M_PI; + const RealType pressureConvert = 1.63882576e8; // converts amu*fs^-2*Ang^-1 -> atm const RealType surfaceTensorConvert = 1.43936; // convert N/m to kcal/mol*Ang^-2 + + /* + * viscoConvert + * used for products of: + * viscosity (Poise) * distance (Angstroms) * velocity (Angstrom / fs) + * returns values of: + * force in (kcal mol^-1 Angstrom^-1) + */ + const RealType viscoConvert = 1.439326479e4; } } #endif