|
423. MM2: Molecular Mechanics II (CDC Version of QCPE 395)
by Salvatore Profeta, Jr., School of Pharmacy, University of California, San Francisco, California 94143 MM2 is the most currently available updated version of that portion of QCPE 318 (N. L. Allinger, 1976) 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 (CDC) Lines of Code: 7500 |