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Subramani Sockalingam

PEEK, PGMA modeling

Is it possible to create PEEK and Poly(glycidyl methacrylate) molecular structure in this tool?

Can that structure be output to run MD?

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    Benjamin P Haley

    If you have a molecular structure file (PDB or XYZ), you can upload the file to the tool to build chains using that molecule as a monomer.  The tool can generate LAMMPS data files with Dreiding parameters.  It can also generate LAMMPS command scripts with Dreiding parameters for minimization and MD runs.

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