Angle, bond and dihedral

Posted In MD (LAMMPS)
  • Fryad Mohammed Sharif 8 months ago

    Dears 

    I tried to draw structure of polydimethylsiloxane then convert it to lammps.data but I don't know why it don't contain bond, angle and dihedral information, so material squrare can do that?

  • Materials Square 8 months ago

    Hello.

    Thank you for using Materials Square.

     

    Have you used the Dreiding potential?

    On the ChemLAMMPS modules, Click the 'Optimization' button.

    Next, click the 'View Structure' button.

    Then you can see the structure with bonds, angles, dihedrals information.

     

    Please let me know if you have further questions.

     

     

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