Modar internal command:

 putcenter

To declare a center group, which will be translated to the center of crystal cell during the simulation. It’s recommended that to put macromolecule at center for protein, DNA and RNA MD simulation or to apply a restraints to the mass center of macromolecule.

  • Syntax
     
    putcenter <argument> ...

  • Examples

    #put protein to center

    putcenter select=”segn proa” drifttol=2.0


  • Keywords

    select=<select expr >

    The selection expression of center group

    DriftTol=<real>

    Do translation and image groups transformation whenever the drifting value of center group is over this value.

  • Variables exported
    none


 

 

 

 

 

 

 

 

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