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. Author manuscript; available in PMC: 2023 Aug 17.
Published in final edited form as: J Chem Theory Comput. 2023 Jul 13;19(15):5047–5057. doi: 10.1021/acs.jctc.3c00226

Table 6:

Performance Comparison Between the Optimal Strategy Developed in This Study and the Approach Proposed by Wang and Skeel. This table presents a comparative evaluation of the performance between the optimal strategy derived in this research and the methodology proposed by Wang and Skeel. In all simulations, the maximum error was employed as the convergence check to ensure energy conservation.

τ 10−2 10−3 10−4
This work 245.99 257.71 285.44
Wang and Skeel 259.23 294.20 329.03