common Xplor-NIH execution environment there is one of SimulationWorld object, which can be obtained using the SimulationWorld_world() function. The SimulationWorld contains the following infrastructure items: timeFactor() -returns the conversion from the internal time representation to picoseconds. kBoltzmann() -returns the Boltzmann constant in internal units. random -a global instance of the RandomNum class setRandomSeed(seed) -method used to reset all random number seeds. This resets the seed in python's random module, the global RandomNum seed, and the seed used in the XPLOR interface. logLevel() / setLogLevel("none" | "normal" | "all" | "debug") -get/set the current logging level. This functionality is not currently utilized much. cpuTime() - return the total CPU time since program start. This time includes that of child processes which have been properly terminated. The units currently input to xplor-nih are length: Angstroms time: ps energy: Kcal/mol mass: atomic-mass-unit charge: electron-charge physical constants in SI units ------------------------------ Kb = 1.380662 E-23 J/K Na = 6.022045 E23 1/mol e = 1.6021892 E-19 C eps = 8.85418782 E-12 F/m 1 Kcal = 4184.0 J 1 amu = 1.6605655 E-27 Kg 1 A = 1.0 E-10 m Internally, AKMA units are used: timeFactor = SQRT ( ( 1A )**2 * 1amu * Na / 1Kcal ) kBoltzmann = Na *Kb / 1 Kcal)