--- trunk/OOPSE/libmdtools/Thermo.hpp 2003/03/26 15:37:05 403 +++ trunk/OOPSE/libmdtools/Thermo.hpp 2003/04/04 01:57:11 454 @@ -22,6 +22,10 @@ class Thermo{ (public) double getTemperature(); // gives the instant temp. in K double getPressure(); // gives the instant pressure in Pa + + int getNDF(); // get the number of degrees of freedom in the system + int getNDFraw(); // get the number of raw degrees of freedom in the system + // i.e. don't subtract constraints or system COM. void velocitize(); // set the temperature to the target temp in SimInfo // NOTE: srand48 should be seeded before calling.