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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section11


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


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