_________|_________|_________|_________|_________|_________|_________|_________|_________|_________|
PI= 3.141592653589790   |
RAD= .01745329251994328 |1 degree in units of radians
ANG= .529177249         |1 atomic unit of distance in units of angstroms
CAL= .62750955e+03      |1 atomic unit of energy in units of kilocalories/mole
ekT= .592488            |1 kT in units of kilocalories/mole for T=298.15K
_________|_________|_________|_________|_________|_________|_________|_________|_________|_________|
