Coarse-grained (CG) models have proven to be very effective tools in the study of phenomena or systems involving large time- and length-scales. By decreasing the degrees of freedom in the system and using softer interactions than seen in atomistic models, larger time steps can be used and much longer simulation times can be studied. CG simulations are widely used to study systems of biological importance that are beyond the reach of atomistic simulation, necessitating a computationally efficient and accurate CG model for water. In this review, we discuss the methods used for developing CG water models and the relative advantages and disadvantages of the resulting models. In general, CG water models differ with regard to how many waters each CG group or bead represents, whether analytical or tabular potentials have been used to describe the interactions, and how the model incorporates electrostatic interactions. How the models are parameterised, which typically depends on their application, is also discussed.

中文翻译：

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水的粗粒度分子模型：综述

粗粒度 (CG) 模型已被证明是研究涉及大时间和长度尺度的现象或系统的非常有效的工具。通过降低系统的自由度并使用比原子模型中看到的更软的相互作用，可以使用更大的时间步长，并且可以研究更长的模拟时间。CG 模拟被广泛用于研究原子模拟无法实现的具有生物学重要性的系统，因此需要一个计算效率高且准确的水 CG 模型。在这篇综述中，我们讨论了用于开发 CG 水模型的方法以及所得模型的相对优点和缺点。一般来说，CG水模型在每个CG组或珠代表多少水方面有所不同，是否使用分析势或表格势来描述相互作用，以及模型如何结合静电相互作用。还讨论了模型如何参数化，这通常取决于它们的应用。