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Building the System

These initial configurations can represent a minimum energy structure either from another simulation (i.e., a final structure from a energy minimization in a quantum or classical Monte Carlo simulation can be used as the starting state for classical simulations), from experimental observation (i.e., the pdb database for crystallographic structures of proteins) or building the initial coordinates based upon the equilibrium bond distances and bond angles from the force-field. [Pg.218]

In addition to containing the initial spatial coordinates of all of the molecules in the system, the initial configuration must also contain some additional information about the atoms and [Pg.218]

Finally, after building the initial configuration, the simulation is about ready to be performed. The last step is to choose the simulation variables and set up the input to the simulation package in order to convey these selections. [Pg.219]

These options and the decision process behind choosing from the various options will be presented in the following sections. [Pg.219]


Pipe routing should be considered when the home is being designed. This will ensure that there is an area reserved for the exhaust pipe and preclude any possibility of having to build the system with numerous elbows and long horizontal pipe runs. Ideally, the pipes should be run through an interior wall of the home or up through closets. [Pg.1270]

The technical architecture includes all domain-independent design decisions, including the communication middleware that is used to enable communication between apphcation architectural components the patterns and rules that are followed in using the middleware all domain-independent libraries that may be needed to build the system and the rules for using them. The domain-independent facilities include the following ... [Pg.520]

Motivation. TOGA contains only a small portion of the knowledge of the expert and Its potential performance Is limited to something less than that of the expert. However, there are still a mamher of reasons for building the system. [Pg.26]

A. H. Zewail Reaching the 100-ps time scale with our apparatus was not difficult. For the next step in reaching better resolution with a factor of 100, we had to build the system I described, which is sensitive to single-electron detection. Currently we can obtain 1 ps resolution, and with better electron trajectories we anticipate reaching the 50-fs limit outlined by Prof. Prokhorov s and Dr. Schelev s groups. We are collaborating with them to obtain electron sources to install in our apparatus to reach this time resolution. [Pg.48]

This simple definition disregards, that more than one structural perspective together with the corresponding dependencies will be necessary. Structural perspectives, for example, include a conceptual, a development, and a process view [603]. Therefore, high-level diagrams such as Fig. 5.55 are helpful to get a first impression of the overall system s structure, but are not an adequate description of a software system to serve as a blueprint for building the system. [Pg.564]

The advantages and disadvantages of using whole cell and isolated enzymes are described in Sect. 15.1.1.3. Here, genetic methods are used to build the systems with the advantages of both whole cells and isolated enzymes the technology enables one to access essentially a single enzyme within a whole cell 1271. [Pg.1011]

Kristin Antelman, Do Open-Access Articles Have a Greater Research Impact College Research Libraries, 372-382 (September 2004). Herbert Van de Sompel, et al., Rethinking Scholarly Communication Building the System That Scholars Deserve, D-Ub Magazine (September 2004). [Pg.36]

The students calculated the cost for building the system prototype as approximately AED 700 (about US 200). They anticipate that production in mass quantities would lower this cost substantially. Furthermore, the cost is insignificant compared with the total amount of money spent by the Abu Dhabi Police Department... [Pg.101]

Inventor produced complete designs of steel skeleton structural systems in tall buildings. The system had two main integrated components. The first was an evolutionary component for the development of design concepts. [Pg.369]

The function BuiIdJacobianAndHessfans allows to numerically evaluate the Hessians of the functions of the system in a point, x, exploiting the variable grouping used to build the system Jacobian. [Pg.452]

The development of the appropriate engine and the conceptualization of the web-based service was a significant step in building the system. However, its eventual success was critically dependent on the business plan. We attribute the successful adoption to two key characteristics of the business plan ... [Pg.797]

N-l Crib and Trench. The 116-N-l crib and trench Is a major Inactive waste management unit located approximately 300 m (1,000 ft) east of the N Reactor building. The system is commonly referred to as the 1301-N LWDF. [Pg.127]

A dry-standpipe system in an unheated building. The system should be arranged to admit water automatically by means of a dry-pipe valve or other approved device. The depletion of system air at the time of use introduces a delay in the application of water to the fire and increases the level of competency required to control the pressurized hose and nozzle assembly during the charging period. [Pg.362]

During the course of the above HR system selection process, it may turn out that some part of the system does not meet the set conditions. One solution may be to build the system out of components from two suppliers, e.g., manifold and nozzles, but then responsibility for the working of the system as a whole effectively falls upon the user. [Pg.263]

Bachman, L. R. 2003. Integrated Buildings The Systems Basis of Architecture. New York John Wiley Sons. Stresses integration issues between architecture and technology. [Pg.87]


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