Allinger force-field programs

HyperChem s MM-i- force field uses the latest MM2 (1991) parameters and atom types (provided directly by Dr. Alliugei) with the 1977 functional form X. H.. Allinger, 7 Am. Chern. Soc., 99, 8127 (1977),. 1,.. Allin ger and Y. H. Yuh, Qiiari tnm Ch cm istry Program... 

The use of molecular mechanics calculations has become common practice in chemical research since the early 80s, when general-purpose force fields, incorporated into user-oriented computer programs, started to appear (Figure 1). As noted above, the most popular and extensively used force fields are undoubtedly those developed by Allinger s group, namely MMI (early 70s), MM2 (1977-) and, more recently, MM3 (1988-). 

Molecular Mechanics Descriptors A consistent force field (OFF) method, adapted from the MMI program of Allinger, Q5.) of... 

One of the most popular and most extensively used molecular mechanics force fields is MM2, developed by Allinger and co-workers, The latest version of this program is MM2(91). The MM3 method - is an enhancement of MM2 with significant improvements in the functional forms of the potential energy functions. The current version of MM3 is MM3 (94). We will use these force fields as reference points in our principal discussion. 

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