Dear all, I am a beginner in Molecular Dynamics. I build a pre-reaction epoxy model using Materials Studio and plan to perform the cross-linking procedure using Lammps. However, the msi2lmp tool does not support GAFF or Dreiding forcefield. Is there any other tool that I can use to get model data in GAFF? I'd really appreciate it if you give me any advice or tutorials.
Saeed Babaei
Dear Xu,
You can use Moletemplate software and VMD tools (TopoTools) for building data file with the GAFF force filed for Lammps.
Best regards,
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