I'm trying to get bond lengths from a collection of models from a Gaussian
saddle point exploration (Cl Br exchange by SN2). I can get a single distance
with the measure command (although not with the distance function, so far), but
I've been unsuccessful in finding the key to getting the same value from the
full set. I'm hoping for an equivalent to "getProperty
modelInfo.models.energy", which returns the Gaussian energy for all 98 frames.
I've found that "measure ({1}) ({2})", but not "measure ([1]) ([2])" will
activate the desired measurement, but only in model 1.1. I can trace the atom
pairs through the models by incrementing in a loop, if that's necessary. The
analogous "x=distance [1] [2]", "x=distance ({1}) ({2})", "x=distance {1} {2}"
and similar stylings and trial and error with the * in measure and distance
statements produced only errors. Syntax or script help will be appreciated.
George Whitwell
NC Wesleyan College
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