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. 2022 Oct 4;121(22):4368–4381. doi: 10.1016/j.bpj.2022.10.002

Table 1.

Parameters of some simulations in this work

Systems Melittin DPPC POPG Counterions Force field Replicas Simulation time
CG 28 432 176 36 Na+ Martini 2.2 16 5 μs
AA (T-pore) 4 432 176 156 Na+ CHARMM36M 3 300 ns
AA (U-pore) 4 432 176 156 Na+ CHARMM36M 3 300 ns

See Table S1 for a complete list of CG simulation parameters.