Dihedral driver

Figure 5-9 Steric Energy as Determined using the Dihedral Driver Option of MM3. Compare with Figure 4-12.

Figure 4. Energy values (Kcal/mol) for a gtgtRR starting model produced with MM2 and its standard option -1 dihedral driver.

A greater understanding of the MM2 program is needed to implement the new -2 option for the dihedral driver. In MM2, a temporary file stores the coordinates at the end of each optimization for use as starting positions for the next optimization. The procedures that create these files had to be changed. An alternative to modification of MM2, used previously (3.), was to create separate input files for each ( ), P conformation of interest. This allowed use of the standard driver with a 0 increment size. Special programs could be used to prepare all of the input files. The check of... 

Structure building, manipulation, comparison. Energy minimization by authentic MM2 (91) force field, dihedral angle driver for structures with up to 200 atoms. Stick or ball-and-stick display, multiple structures in multiple windows, structures with up to 32,000 atoms. Macintosh II and Quadra with FPU math coprocessor. 

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