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What method should I choose to handle the core electrostatic calculations: Generalized Born (GB) or Poisson-Boltzmann (PB)?

April 26, 2017born core electrostatic GB generalized method

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What method should I choose to handle the core electrostatic calculations: Generalized Born (GB) or Poisson-Boltzmann (PB)?

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Poisson-Boltzmann. Generally, GB is faster, especially for smaller structures, but may be considerably less accurate in some cases. It can, however, be used to get a quick estimate of what to expect.