--- trunk/OOPSE/libmdtools/Integrator.hpp 2003/05/30 20:19:44 541 +++ trunk/OOPSE/libmdtools/Integrator.hpp 2003/05/30 21:31:48 542 @@ -50,7 +50,7 @@ class Integrator : public BaseIntegrator { (protected) double dt; double dt2; - const double eConvert; + const double eConvert = 4.184e-4; // converts kcal/mol -> amu*A^2/fs^2 double* pos;