Standard-option driver

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

Figure 8b. Contour map based on the standard option -1 driver. Contours are drawn at 1 kcal/mol levels.

Overall, the new driver option is a step forward in CA of molecules that can a deform inelastically. Calculations of energy take longer because most starting geometries are not as close to the final result as they are with the standard -1 driver option. 

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... 

Figure 8a. Grid of energy differences between results from the standard MM2 option -1 driver and the modified option -2 driver. Positive values indicate that the -2 driver gave a lower value (gtgtRR starting structures only).

If you are performing the installation via CD, you must also make certain that the startup disk is capable of accessing the CD-ROM drive on your machine. In Windows 98, the startup disk automatically loads standard CD-ROM drivers and presents you with an option to load CD-ROM support on startup. Some Windows 95 startup disks also have this, but if not, you can modify the AUTOEXEC. BAT and CONFIG. SYS to load a CD-ROM driver. The exact modifications you will need to make depend on the type and manufacturer of your CD-ROM drive, but a sample CONFIG. SYS and AUTOEXEC. BAT follow ... 

The officer will also have the option of asking the driver to provide him/her with the data that is in the ELD. The driver would be responsible for initiating the transfer of data (which would be in a standard output format) to the officer. The officer would then place the data into his/her computer for review, audit, and/or retention as evidence. The options for transferring data from the driver s ELD device to the officer can include ... 

However, it works the other way also. Drivers, supervisors, and all employees will learn immediately that current need or crisis will rarely compromise the established safety standards. Deviation is simply not an option in most situations. 

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