Dear ,
I am running a MD simulation of a periodic box system containing a protein, 5 ligand molecules (all the same) and water. But during the simulation, some ligand will be aggregation together.
What is the way to add repulsive force between these ligands to avoid their aggregation during the simulation?
Waiting for your response.
Best Regards,
Haiyang Zhong
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Received on Sat Nov 14 2020 - 00:00:02 PST
