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QCMP004. MM2: Molecular Mechanics II
by N. L. Allinger and Y. H. Yuh, Department
of Chemistry, University of Georgia, Athens,
Georgia 30602
Converted by Delano P. Chong, Department of
Chemistry, University of British Columbia,
Vancouver, B.C., Canada V6T 1Y6
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 77 (Microsoft FORTRAN) Lines of Code: 7600 |