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395. MM2: Molecular Mechanics II
by N. L. Allinger and Y. H. Yuh, Department of Chemistry, University of Georgia, Athens, Georgia 30602 MM2 is the most currently available updated version of that portion of QCPE 318 which is identified as MMI (for use with nonconjugated systems). MM2 is the 1977 version. MM2, as with MMI, is used for the calculation of conformations and energies. MM2 differs from MMI in that smaller, softer hydrogens and large carbons are used. There is also a two-fold torsion term for butane-type carbon systems. MMP2 is not included in this offering at this time. FORTRAN IV (IBM) Lines of Code: 7528 Recommended Citation: N. L. Allinger and Y. H. Yuh, QCPE 13, 395 (1981). |