iAMOEBA, an Inexpensive AMOEBA Polarizable Water Model
收藏simtk.org2013-03-05 更新2025-03-21 收录
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https://simtk.org/projects/iamoeba
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资源简介：
iAMOEBA is an inexpensive and highly accurate polarizable water model. It is based on the AMOEBA model (Ren and Ponder, J. Phys. Chem. B, 2003). We make use of the direct polarization approximation, which decreases the computational cost. The parameters are optimized using the ForceBalance software (https://simtk.org/home/forcebalance). <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=847#pack_1370">iAMOEBA </a> : iAMOEBA force field </li> </ul>
iAMOEBA是一种经济高效且极化度高的水模型。该模型基于AMOEBA模型（Ren和Ponder，J. Phys. Chem. B，2003年）。我们采用了直接极化近似，以降低计算成本。参数优化通过ForceBalance软件（https://simtk.org/home/forcebalance）进行。本项目中包含以下软件/数据包：
<ul>
<li><a href="https://simtk.org/frs?group_id=847#pack_1370">iAMOEBA</a>：iAMOEBA力场</li>
</ul>
提供机构：
SimTK
