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cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
GNU General Public License v3.0
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Make sure to set proper pair exclusions for CG sims #99

Closed chrisjonesBSU closed 1 year ago

chrisjonesBSU commented 1 year ago

Right now, the coarse-grained simulations are only using 1-2 exclusions, we need to add, or least make optional, 1-3 and 1-4 exclusions as well.

This should be done in _create_hoomd_sim_from_snapshot() in simulate.py