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Maurizio Zaccheddu


Dear colleague,

I was wondering how to incorporate the cross-linking formation in LAMMPS. If I use the create/bond command, the bond is created but I could not assign the force field; I would need to do it manually or is there, up to your knowledge, a way to generate a new data_file?

thanks, maurizio

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    Benjamin P Haley

    Sorry for the delay in answering your question. We use a customized version of LAMMPS, separate from this nanoHUB tool, to model the formation of cross-linking. I don’t know if that can be done generally in LAMMPS.

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