Dimensions and Units

X-PLOR expects the following dimensions and units in all input files: Å for distances; kcal mole$^{-1}$ for energy; psec for time, except for some specifications in the NMR relaxation statement, where it is in sec; amu (atomic mass units) for masses; K for temperature; and degrees for all angles, except for the specification of certain energy constants, which refer to kcal mole$^{-1}$ rad$^{-2}$. All coupling constants are in Hz.

Xplor-NIH 2023-11-10