Driver options

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

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. 

Audio device type allows you to select the software drivers ACID uses to interact with Windows and, ultimately, your sound card. The Microsoft Sound Mapper option leaves all driver decisions to Windows, while the Windows Classic Wave Driver option may allow you to select from a number of drivers listed in the Default audio playback device option. 

The Default audio playback device list will be active (not grayed out) only if the Windows Classic Wave Driver option is selected above. Individual pieces of hardware (sound cards) may have multiple possible software drivers, but this list is more typically used to select drivers from systems with multiple sound cards. 

Various coupling designs are available to transmit torque from the driver, eg, electric motor, to a pump. In order to contain the pumped fluid inside the pump and prevent the pumpage from leaking, several types of sealing methods are used. A few options are described herein. 

A number of coupling options exist with motor drivers. The main gear is often equipped with a simple shoulder bearing, does not have thrust collars, and is connected to the compressor train with a solid coupling. Other manufacturers opt to use flexible couplings and conventional thrust bearings. 

The transportation mode used will affect the shipper s options with regard to the selection of the routing of the shipment. Using certified drivers to ship full truckloads of drums, ISO tanks, and tank... 

This program uses TrueType fonts to display information in each window. When you print these windows, you need to make sure that the Print TrueType fonts as Graphics option is enabled under the Printer Setup options. Options vary for various printers and their corresponding printer drivers, but most printer drivers either have this option or (less commonly) print TrueType fonts as graphics all the time. If this option is not selected, the printer will probably pick one of its built-in fonts, causing the printout to look different from what is displayed on the screen. 

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... 

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).

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