Amber/Sander plus OpenMM

This project provides additions to the <a href="http://ambermd.org">Amber Software suite</a> providing Amber users with a Amber (Sander) compatible interface to <a href="https://simtk.org/home/openmm">OpenMM</a>. This will allow Amber users to explore OpenMM to run GPU accelerated Molecular Dynamics using their existing (Sander) input files. OpenMM's emphasis is on hardware acceleration; it provides a consistent API along with <b> significantly enhanced </b> performance on a variety of GPUs. Exciting benchmarks, showing the power of OpenMM are included on the Downloads page under "<a href="https://simtk.org/frs/download.php?file_id=2407">README_SPEED.txt</a>". <br/><br/>This project includes the following software/data packages: <br/> <ul> <li> <a href="https://simtk.org/frs?group_id=496#pack_809">Amber and OpenMM </a> : Amber (Sander) compatible interface to OpenMM. Contains shell script, FORTRAN code and installation instructions. </li> </ul>

本项工程为 <a href="http://ambermd.org">Amber 软件套件</a> 提供了补充功能，为 Amber 用户提供了与 <a href="https://simtk.org/home/openmm">OpenMM</a> 兼容的界面。这使得 Amber 用户能够利用其现有的 (Sander) 输入文件，在 OpenMM 平台上探索并运行 GPU 加速的分子动力学模拟。OpenMM 侧重于硬件加速，它提供了一致的 API，并在多种 GPU 上实现了显著提升的性能。激动人心的基准测试，展示了 OpenMM 的强大功能，已包含在下载页面上的 "<a href="https://simtk.org/frs/download.php?file_id=2407">README_SPEED.txt</a>" 文件中。

本工程包含以下软件/数据包：

<ul>
<li><a href="https://simtk.org/frs?group_id=496#pack_809">Amber 和 OpenMM</a>：为 OpenMM 提供与 Amber (Sander) 兼容的界面。包含壳脚本、FORTRAN 代码和安装说明。</li>
</ul>