Hi, I am trying to set up a coarse-graining simulation with LAMMPS as a simulation program. However, I am not quite sure how to specify the mapping and topology info. In the spce/ibi_lammps example, there is a topol.xml file for CG topology, but its structure is not clear to me, especially terms like topology base and first. Also, can anyone give me an example of mapping using LAMMPS trajectory files?
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