Removal of pressure and free energy artifacts in charged periodic systems via net charge corrections to the Ewald potential
作者： Stephen Bogusz , Thomas E. Cheatham , Bernard R. Brooks
DOI: 10.1063/1.476320
关键词:
摘要: … system and an optional Born or Poisson– Boltzmann term. This … is a truly periodic method: it includes a complete electrostatic … the electrostatic interactions in truly periodic systems avoid …
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