Modar internal command:

 nbsoft

To enable Nonbond soft cut for energy minimization due to some bad overlaping.

  • Syntax
     
    nbsoft <cutoff value>

  • Examples

    nbsoft 1.0  #enable nbsoft with cutoff 1.0

    minimize type=sdfuse nstep=$nstepmini nprint=10 ftol=1e-5

    nbsoft 0    #to turn off nbsoft

    minimize type=mc     nstep=$nstepmini nprint=10 ftol=1e-5


  • Keywords
    none

  • Variables exported
    none



 

 

 

 

 

 

 

 

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