Changes between Version 2 and Version 3 of WikiStart


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Timestamp:
02/09/06 23:15:43 (8 years ago)
Author:
mmc
Comment:

added description of tool

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  • WikiStart

    v2 v3  
    88== What is QC-Lab? == 
    99 
    10 ''Describe your project here'' 
     10The aim  of QC-Lab is to facilitate the elaboration and study of molecular theoretical models in Gas Phase and Solution. 
     11QC-Lab puts together the instructions in GAMESS language and automatically submits the job for execution. 
     12Once the task has been accomplished, QC-Lab retrieves the data where a variety of molecular properties may be 
     13read from: Optimum molecular structure, atomic charge distribution, dipole moment, thermodynamic state functions, etc. 
    1114 
    12 To do this, click on the Login link in the upper-right corner of the 
    13 page and log in using your nanoHUB login name and password.  After that, 
    14 you should see an Edit button at the bottom of the page.  Click on that 
    15 button and replace this text with your description. 
     15''QC-Lab is Powered by:''[[BR]] 
     16[http://www.msg.ameslab.gov/GAMESS/GAMESS.html GAMESS] (General Atomic and Molecular Electronic System) [[BR]] 
     17GAMESS is maintained by the members of the Gordon research group at Iowa State University. 
    1618 
    1719== How do I use this site? ==