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OpenMM September 2012 Workshop: Rapid MD Prototyping & Simulations on GPUs
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Exercises and Examples
Version 1
Aug 31, 2012
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Workshop-Exercises.zip
Aug 31, 2012
1 MB
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Python scripts and supporting files to learn to use OpenMM, including custom forces and addition of molecules to a force field
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OpenMM Class Diagram
Diagram of various high-level classes in OpenMM and their relationships.
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Sep 07, 2012
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ClassDiagram.pdf
Sep 07, 2012
PDF file containing description of classes in OpenMM.
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Presentations and Videos
Version 1
Sep 06, 2012
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Presentations.zip
Sep 06, 2012
12 MB
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Slides for the workshop presentations
MSMBuilderExercise.pdf
Sep 07, 2012
491 KB
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Instructions for building Markov State Models on the Muller Potential
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Oct 11, 2017
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