--- trunk/src/hydrodynamics/Sphere.cpp 2006/06/05 18:24:45 981 +++ trunk/src/hydrodynamics/Sphere.cpp 2008/11/24 22:01:56 1322 @@ -83,14 +83,12 @@ namespace oopse { Xi(4, 4) = Xirr; Xi(5, 5) = Xirr; - const RealType convertConstant = 6.023; //convert poise.angstrom to amu/fs - Xi *= convertConstant; + Xi *= OOPSEConstant::viscoConvert; XiCopy = Xi; invertMatrix(XiCopy, D); - RealType kt = OOPSEConstant::kB * temperature; - D *= kt; - Xi *= OOPSEConstant::kb * temperature; + RealType kt = OOPSEConstant::kb * temperature; // in kcal mol^-1 + D *= kt; // now in angstroms^2 fs^-1 (at least for Trans-trans) HydroProp* hprop = new HydroProp(V3Zero, Xi, D);