--- trunk/OOPSE/libmdtools/SimSetup.cpp 2004/01/26 21:45:03 983 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2004/01/26 21:52:56 984 @@ -224,9 +224,9 @@ void SimSetup::makeMolecules(void){ // in space using the three Euler angles. We assume the standard // unit vector was originally along the z axis below. - phi = currentAtom->getEulerPhi(); - theta = currentAtom->getEulerTheta(); - psi = currentAtom->getEulerPsi(); + phi = currentAtom->getEulerPhi() * M_PI / 180.0; + theta = currentAtom->getEulerTheta() * M_PI / 180.0; + psi = currentAtom->getEulerPsi()* M_PI / 180.0; Axx = (cos(phi) * cos(psi)) - (sin(phi) * cos(theta) * sin(psi)); Axy = (sin(phi) * cos(psi)) + (cos(phi) * cos(theta) * sin(psi));