.

Robin Strickstrock1, Alexander Hagg1, Marco Hülsmann2

  • 1Department of Engineering and Communication (DEC), University of Applied Sciences Bonn-Rhein-Sieg, Grantham-Allee 20, 53757 Sankt Augustin, Germany.

概括

优化分子模拟力场的优化包括平衡错误. 本研究引入了权重因子,以提高力场参数 (FFParams) 的准确性和可转移性,减少模拟中的整体错误.

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