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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section09


318. MMI/MMPI: Calculations by the Method of Molecular Mechanics

by N. L. Allinger et al., Department of Chemistry, University of Georgia, Athens, Georgia 30602

This system uses molecular mechanics for the calculation of conformations and energies of molecules. It is divided into two basic parts, MMI and MMPI. MMPI is used specifically to calculate molecules which contain conjugated pi systems.

The system represents many years of development and a highly refined parameterization which is still undergoing refinement and extension.

MMI/MMPI operates as an OVERLAY on the IBM 360/370 operating systems.

FORTRAN IV (IBM 360/370) Lines of Code: 9620 Recommended Citation: N. L. Allinger et al., QCPE 11, 318 (1976).


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