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?
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 @ on
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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