Changes between Version 1 and Version 2 of StartersTutorial


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Timestamp:
Jul 6, 2010, 1:59:57 PM (15 years ago)
Author:
FrederikHeber
Comment:

added water.xyz

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  • StartersTutorial

    v1 v2  
    6161== Parsing in another water molecule ==
    6262
    63 Adding atoms singly is now very tedious. Often one already has an xyz description of the molecule. Let's parse in another water molecule from the file [file:water.xyz].
     63Adding atoms singly is now very tedious. Often one already has an xyz description of the molecule. Let's parse in another water molecule from the file [attachment:water.xyz].
    6464{{{
    6565./src/molecuilder -i test.conf -o xyz -p water.xyz