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What types of simple internal coordinates may be indicated in IFZMAT array?
Vitali
stepuro@grsu.by
What types of simple internal coordinates may be indicated in IFZMAT array when optimizing molecular geometry using DLC coordinates? Is it possible to freeze dihedral angle between ring planes (e.g. 6,1,2,3,4,5) or ghost torsion angle (e.g. 7,1,2,3,4,5,6) using IFZMAT?
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Thu Sep 2 '10 1:28pm
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