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547. MM2: Molecular Mechanics II (IBM 3090 Version)

by N. L. Allinger and Y. H. Yuh, Department of Chemistry, University of Georgia, Athens, Georgia 30602

Converted by F. Sidhu, Department of Chemistry, Indiana University, Bloomington, Indiana 47405

This program has been vectorized for use on the IBM 3090 with Vector Facility and makes extensive use of the ESSL (Engineering and Scientific Subroutine Library).

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.

IBM FORTRAN (Version 2.2 PUT8801) Lines of Code: 7628



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