Iccoa: Difference between revisions
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Latest revision as of 19:18, 28 January 2009
iccoa
Synopsis: iccoa(integer,integer) = integer
This function returns the index of the first (if the first argument is 1) or second (if the first argument is 2) atom that is involved in the scalar coupling constant restraint whose index is given as the second argument.
The scalar coupling constant restraints are indexed from 1 to ncco in the order in which they were read from the input file(s).