Maurizio Zaccheddu @ on
cross-link
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 @ on
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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