Modar internal command:

 sortTop

To resort topology internal data structure, it’s highly recommend to call this command after done some modification to the structure. Since resorting topology for a large system may take times and user may make a batch of patching, deleting, mutation to the structure at a time, Modar did not do resorting topology automatically after modification made by user.


  • Examples

    #to disable cross map term

    sorttop



  • Arguments

    Atom=<bool>

    Whether resort atoms indexes according to topology structure or not

    bond=<bool>

    Whether resort bonds or not

    angle=<bool>

    Whether resort angle or not

    Dihe=<bool>

    Whether resort dihedrals or not

    Impr=<bool>

    Whether resort improper or not

    Cmap=<bool>

    Whether resort cross map or not

  • Variables exported
    none



 

 

 

 

 

 

 

 

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  Email: support@beemd.org

 

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