RESTART file

ACS Symposium Series American Chemical Society Washington, DC, 1977. 

MOLECULE NAME (A20) TEST ENTER NUMBER OF NEW ATOMS 5 

TO CREATE BONDS, TYPE BOND PATHS END WITH BLANK LINE BONDS 123452 BONDS 4 5 

DO YOU WISH TO CHANGE ATOM TYPES, CHARGES, OR STEREO INFORMATION (Y OR N) Y 

TO CHANGE ATOM TYPES, TYPE ATOM AND NEW TYPE 

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Completed surveillance reports are transmitted to reactor restart files as part of the QA Closure Package for restart. As an added measure, the Safety Oversight Division (SOD) also reviews the closure process of Charlotte and WISR restart items on a sample basis. 

If Restart is ch ecked ih eti the vckicitics arc th c existing assign cd velocities derived from a previous m olecti lar dyn am ics simulation or included in the HI.N file when It was first read In. You can thus restart a trajectory at exactly the poln t it was term in ated by iisiri g the Restart check bo.x. 

The Restart check box can be used in ctiii junction with the explicit editing of a IIIX file to assign completely user-specified initial velocities. This may be useful in classical trajectory analysis of chemical reactions where the initial velocities and directions of the reactants are varied to statistically determine the probability of reaction occurring, or n ot, in the process of calculating a rate con -Stan t. 

Sin ce the Molecu lar Dynamics Results window con lain ing plots is a true window, an image of it alone can be captured into the clipboard or a file using Top-level in the File/Preferences/Setiip Image dialog box. Th is captured image, in addition to shtnving the molecular dynamics plots, shows the Restart and Done buttons, etc. If you on ly want the plots, you can erase the details of the box with a paint program, such as Microsoft Windows Pain thru sh which comes with Microsoft Windows. 

Coordin ates of atom s can he set by n orm al translation orrotation of HyperCh cm molecules, fo set initial velocities, however, it is necessary to edit th e H l. file explicitly. The tin it o f velocity in the HIN file is. An gstrom s/picosecon d.. Areact.hin file and a script react.scr are in eluded with HyperChem to illustrate one simple reacting trajectory. In order to have these initial velocities used in a trajectory the Restart check box of the Molecular Dynamics Option s dialog box must he checked. If it is n ot, the in itial velocities in the HIN file will be ignored and a re-equilibration to the tern peratiire f of th e Molecular Dyn am ics Option s dialog box will occur. This destroys any imposed initial conditions on the molecular dynamics trajectory. 

If you have saved the checkpoint file, then it is also possible to restart a faile optimization, using the Opl=Restart keyword. See the Gaussian User s Reference for details. 

Note that you may need to restart your computer in order to use the circuit files installed for this book. 

Figure 15.6. Kinemage built-in scripts page of PREKIN program. Build-in scripts program for converting molecule.pdb file into molecule.kin file according to the selection(s) for structural features to be displayed/manipulated. To terminate the selection, click OK button. For more than one selection (structural features), click restart this Pass button.

When the file copy is finished, you will see a screen like the one in Figure 13.16. This screen is telling you that the majority of the installation is finished. You just need to reboot the computer and customize the way Windows 95 operates. To restart the computer and run Windows 95, remove any disks from their respective disk drives and click Finish. This will cause the computer to reboot. 

As with other programs, Microsoft Office has a S ETU P. EXE file that it uses to start its installation routine. To start the install, simply insert the Office 2000 disk into your disk drive. Setup will begin automatically and will install Windows Installer onto your machine. If you already have a current version of the MS Installer software, the install continues, as in Figure 15.7. If not, an update will occur, and you may need to reboot and restart the install. 

The Windows 9x emergency disk is a simple bootable disk that contains some basic utilities, like EDISK, ATTRIB, CHKDSK, DEBUG, EDH, EORMAT, RESTART, SCANDISK, and SYS. These files are used to correct basic disk problems as well as file boot problems. However, the Windows 9x emergency disk CANNOT be used to restore a corrupt Registry (apart from copying the USER.DAT and SYSTEM.DAT files from their backup locations). 

You can also run SCANDISK automatically. When you turn off a Windows computer without choosing the Shut Down command, Windows 95 OSR2 and Windows 98 will automatically run SCANDISK when the computer is restarted. SCANDISK will check to see if any of the Windows files are corrupt so that Windows can be started. 

AUTOEXEC.BAT A contraction of AUTOmatically EXECuted BATch. AUTOEXEC.BAT is a special DOS batch file, located in the root directory of a startup disk, and it runs automatically every time the computer is started or restarted. 

On the day when written responses are received the review clock restarts with day 121. The Rapporteurs assess the responses, and submit their final assessment report by day 150. The final assessment is again sent to the CHMP, the EMEA and the applicant. CHMP members have until day 170 to file any comments. Outstanding issues are discussed at a CHMP meeting by day 180. 

Save in xxx.fi file format for re-start from FEMLAB stand-alone or in xxx.m file format for restart from either FEMLAB running under MATLAB or FEMLAB stand-alone. (Note m-Files save all your commands, including mistakes.)... 

Save your program and results in the computer memory. A good strategy is to create a folder for each new problem and save your program and results in the folder. The reason is that, when you choose File/Save, six files are created, and all six are necessary to restart the problem at a later time. 

Because the workunits require a long calculation (1-2 hours), mechanisms for restarting after an interruption are essential. With the nested loop structure in the calculation, it is easy to write information to a file at the beginning of each of the two outermost iterations (lines 2, 3 in the script. Sect. 7.6). When the calculation starts. 

EST MAX=9990 SIG=3 NOABORT PRINT=1 METHOD=COND MSFO=base.msf The conditional estimation method is used here because the residual error for the disease progression model is additive. The conditional method with interaction can also be used as well. Because disease progression models can run for extended periods of time due to complex models and the large databases required, the use of the MSF file option is recommended. This option allows the job to be restarted if the minimization process is terminated for some reason (e.g., power failures). 

Critical Batch Jobs all Monitor jobs FULLBACKUP.COM DIRCHECK.COM CHECK PRINTQUEUES.COM STOP ORACLE.COM LIMS If batch job is lost Every 10 minutes System procedure Mail to system operator Automatic restart of batch jobs by system procedure File with mail 30 days... 

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