Hi Christoph, for running IBI with Lammps (or any other supported sim. program) there is a special tag <topol> in the settings.xml for csg_inverse. As I got from the description, this tag passes the topology file to the csg_stat script. However, csg_stat accepts also mapping and bonding information via --cg option. Is there any tag to include mapping/bonding option for csg_stat in the settings.xml of csg_inverse? Or how otherwise excluded interactions will be taken into account?
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