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Provides an Amber/Sander-compatible front end to OpenMM.


This project provides additions to the
Amber Software suite providing Amber users with a Amber (Sander) compatible interface to OpenMM.

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 significantly enhanced performance on a variety of GPUs. Exciting benchmarks, showing the power of OpenMM are included on the Downloads page under "README_SPEED.txt".

Downloads

  • Code (in the form of patch files) to the Sander code to create the Sander compatible interface to OpenMM.

  • Installation instructions (that assume you have a working Amber 10 or 11 already installed).

  • Simulation examples consisting of input files and scripts to run the Sander compatible interface to OpenMM for some commonly used systems including Villin, Acetamide, Alpha Spectrin and Lambda Repressor.
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