OpenMM

OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes. <b>NEED HELP?</b> Check out the discussion forums under <a href="https://simtk.org/forums/viewforum.php?f=161">Public Forums</a> and the material from our workshops under <a href="https://simtk.org/project/xml/downloads.xml?group_id=161">Downloads</a>. <b>GET STARTED QUICKLY:</b> Tutorials and sample scripts to run OpenMM are available in the <a href="http://wiki.simtk.org/openmm/VirtualRepository">OpenMM Code Repository</a>.<b>SOURCE CODE:</b> The source code for OpenMM is available under <a href="https://simtk.org/project/xml/downloads.xml?group_id=161">Downloads</a> and also from the <a href="http://www.github.com/SimTk/openmm">Github Source Code Repository</a>.<b>BENCHMARKS:</b> A collection of <a href="http://wiki.simtk.org/openmm/Benchmarks">benchmarks</a> is available to show the performance of OpenMM simulating a variety of molecular systems.<b>CITING OPENMM:</b> Any work that uses OpenMM should cite the papers listed on the <a href="https://simtk.org/project/xml/publications.xml/?group_id=161">Publications</a> page. <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=161#pack_529">OpenMM </a> : OpenMM is an extensible library that enables accelerated calculations for molecular dynamics on high-performance computer architectures, including GPUs and multicore CPUs. </li> <li> <a href="https://simtk.org/frs?group_id=161#pack_1009">OpenMM Accelerated TINKER </a> : This project provides additions to the TINKER molecular modeling package so that it can use OpenMM to accelerate simulations. </li> </ul>

OpenMM是一款分子模拟工具包。它既可以作为独立应用程序运行模拟，也可以作为库从您自己的代码中调用。OpenMM通过自定义力和积分器提供了极致的灵活性、开放性和高性能（尤其是在最新的GPU上），使其在模拟代码中独具特色。

若需帮助？请查阅公共论坛下的讨论区，链接为：[Public Forums](https://simtk.org/forums/viewforum.php?f=161)，以及我们的研讨会材料，链接为：[Downloads](https://simtk.org/project/xml/downloads.xml?group_id=161)。

快速入门：OpenMM的教程和示例脚本可在[OpenMM Code Repository](http://wiki.simtk.org/openmm/VirtualRepository)中找到。

源代码：OpenMM的源代码可在[Downloads](https://simtk.org/project/xml/downloads.xml?group_id=161)和[Github Source Code Repository](http://www.github.com/SimTk/openmm)中获取。

基准测试：一组基准测试可用于展示OpenMM模拟各种分子系统的性能。

引用OpenMM：任何使用OpenMM的研究工作均应引用[Publications](https://simtk.org/project/xml/publications.xml/?group_id=161)页面上的论文。

本项目包含以下软件/数据包：

<ul>
<li><a href="https://simtk.org/frs?group_id=161#pack_529">OpenMM</a>：OpenMM是一个可扩展的库，它能够在高性能计算机架构上，包括GPU和多核CPU上加速分子动力学计算。</li>
<li><a href="https://simtk.org/frs?group_id=161#pack_1009">OpenMM Accelerated TINKER</a>：本项目为TINKER分子建模包提供扩展，使其能够使用OpenMM加速模拟。</li>
</ul>