RUN command

Sguess to vary between 0.5 and 0.6 gives a solution that approaches Sguess = 0.562. After an additional RUN command the solution is shown. It is also instructive to use the manual slider method, as explained above. 

The ID nucleotide/amino acid sequences in character format (without index, e.g., fasta format) can be converted into the 2D chemical structures with ISIS Draw, which can be downloaded from MDL Information System at http //www.mdli.com/ download/isisdraw.html for academic use. Install the package by issuing Run command, C Isis Draw23.exe. Launch IsisDraw to open the Draw window. 

In previous chapters you learned how to create useful Sub procedures. You may find that you use a particular macro so often that it would be more convenient to have it on one of Excel s drop-down menus, rather than having to "run" it by means of the Run command from the Macro menu. Running a command macro by means of an Excel menu command makes the custom command accessible to Excel users who are not familiar with the use of macros. 

COMMAND.COM REGEDIT.EXE SYSTEM.DAT Run command Command line prompt /Vindows 2000 Computer management BOOT.INI REGEDT32 REGEDIT RUN CMD NTLDR... 

The Run command can be used to start programs if they don t have a shortcut on the Desktop or in the Programs submenu. When you choose Run from the Start menu, the screen in Figure 12.11 appears. To execute a particular program, just type its name and path in the Open field. If you don t know the exact path, you can browse to find the file by clicking the Browse button. Once you have typed in the executable name and path, click OK to run the program. 

To execute our program, we just need to enter the (run) command and to check the facts ... 

At the beginning of each sub sequential run, the sampler provides the new values of the variables to be modified. The code API places those values properly in the input file. At this point the code API generates the run command and asks to be queued by the job handler. The job handler manages the parallel execution of as many runs as possible within a user prescribed range and communicates with the step controller when a new set of output files are ready to be processed. The code API receives the new input files and collects the data in the RAVEN internal format. The sampler is queried to assess if the sequence of runs is ended, if not, the step controller asks for a... 

Processor 1 activates the run command. At this time the AGENDA is empty and the match queue has an entry. The run command waits for a ruie to enter the AGENDA. At the same time, Processor 2 performs the matching operation for initiai-fact and loads the rule into the AGENDA. 

You can obtain detailed results of ealeulation s by using Start I ig on th e File ni en u. The amount of calcu lational results is con trolled by the Qnan tn111PrintLcvel. The QnantuinPriiitLcvel can be changed In the CTIEM.IXI file before you run IlyperCheni or by a script command after you are running IlyperChem. For more detailsofthe log file and information saved in the log file, see the IlyperC hem Reference in an ual. 

SHMO is a simple Huckel MO program in FORTRAN that functions much as MOBAS does and is also based on the Dickson program. The SHMO source code must be compiled. Compiled SHMO is in executable code (.exe). Run SHMO from the system level (do not go into BASIC) with the single command... 

Certainly not. Input File 10-1 was written using the DOS editor and saved on a 3.5" floppy disk. You can write your input files at home on a laptop if you like, and then run them when your GAUSSIAN is not otherwise in use. Use. g jf (gaussian job file) as your file extension. If your editor gives the. txt extension or some such, use the rename command in DOS. If you run your file directly from the a drive, the output will be stored... 

The calculation setup screens list a good selection of the options that are most widely used. However, it is not a complete list. The user also chooses which queue to use on the remote machine and can set queue resource limits. All of this is turned into a script with queue commands and the job input file. The user can edit this script manually before it is run. Once the job is submitted, the inputs are transferred to the server machine, the job is run and the results can be sent back to the local machine. The server can be configured to work with an NQS queue system. The system administrator and users have a reasonable amount of control in configuring how the jobs are run and where files are stored. The administrator should look carefully at this configuration and must consider where results will be sent in the case of a failed job or network outage. 

MacroModel (we tested Version 6.5) is a powerful molecular mechanics program. The program can be run from either its graphic interface or an ASCII command file. The command file structure allows very complex simulations to be performed. The XCluster utility permits the analysis and filtering of a large number of structures, such as Monte Carlo or dynamics trajectories. The documentation is very thorough. 

Babel (we tested Version 1.6) is a utility for converting computational chemistry input hies from one format to another. It is able to interconvert about 50 different hie formats, including conversions between SMILES, Cartesian coordinate, and Z-matrix input. The algorithm that generates a Z-matrix from Cartesian coordinates is fairly simplistic, so the Z-matrix will correctly represent the geometry, but will not include symmetry, dummy atoms, and the like. Babel can be run with command line options or in a menu-driven mode. There have been some third-party graphic interfaces created for Babel. 

This produces the (pole-zero cancellation) root locus plot shown in Figure 5.18. When run, exampSlO.m allows the user to select the value of K that corresponds to ( = 0.7, and then uses this selected value to plot the step response. The text that appears in the command window is... 

Running examp75.m produces command window text... 

Note that r locus and r locf ind works for both continuous and discrete systems. The statement squar e provides square axes and so provides a round unit circle. The command zgr id creates a unit circle together with contours of constant natural frequency and damping, within the unit circle. When examp76.m has been run, using r locf ind at the MATLAB prompt allows points on the loci to be selected and values of K identified (see Figure 7.20)... 

Thus, if you wish to save the results of a particular run, you must change the name of the output file using the DOS RENAME command (e.g., type REN SCREEN.OUT RUNl.OUT), or simply print the file using the option at the end of the program. 

Selection 3 from the FTAPSUIT menu (Figure 6.4-3) runs FTAPlus to prepare input for the postprocessor (Figure 6.4-5). To print the contents of the block file, the postprocessor input must contain either the command PRTDNF or FRMBLK (selections 2 and 3 respectively). The command PRTDNF (print equation in disjunctive normal form) allows you to display the contents of a punch file in readable form. FRMBLK (form block) is required to generate an FTAP input file. The... 

Motor Driven Fans. 1 Belt. 2 Chain. 3 Direct. 4 Gear Alternating Running Standby 1 2 1- Catastrophic a. Fails While Running b. Spurious Start/Command Fault (per standby hour) c. Fails to Start on Demand d. Fails to Stop on Demand... 

You must execute the Gaussian 94 initialization file included with the program in order to run it. This file sets the values of some environment variables (UNIX) or logical names (VMS) needed by the program. Usually, this file is executed from within your user initialization file (i.e.,. login,. profile, or LOGIN.COM, as appropriate), although you can also run the commands by hand. 

VMS users begin their input file by executing the command to run Gaussian-, input to the program follows. UNIX users will redirect their input file to standard input of the Gaussian 94 command. 

This job should complete very quickly. You may run the job in the background if desired with commands like these ... 

Run the analyses in regional labs, but impose a military-style supply-and-control regime this exposes the commander to cultural cross-currents that can scuttle his project. 

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