Dimensions and Units
X-PLOR expects the following dimensions and units in all input files: Å for distances; kcal mole
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 rad
. All coupling constants are in Hz.
Xplor-NIH 2025-03-21