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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.

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Sat Mar 11 09:37:37 PST 1995