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This repository contains a document (and supporting materials) on Basic Simulation Training, intending to provide prerequisite information for people who want to begin conducting (bio)molecular simulations, especially Molecular Dynamics (MD).
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Our focus here is to tell people what they need to know and why, with links/references to suitable training material. Some brief summaries of some of the key concepts may be provided, but as we are not out to write a textbook, a focus is on guiding people to the appropriate materials.
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The current focus is on MD; Monte Carlo (MC) will be addressed in a separate document which will be linked from here.
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The current focus is on MD; Monte Carlo (MC) will be addressed in a separate document which will be linked from here when it is available.
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## List of Authors
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(Add your name here if you help write; needs updating with list of people who contributed to outline)
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- Avisek Das (University of Michigan)
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- David Mobley (UC Irvine)
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- Jacob Monroe (UC Santa Barbara)
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- Justin Gilmer (Vanderbilt University)
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- Efrem Braun (Berkeley)
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- Justin Gilmer (Vanderbilt)
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- Heather B. Mayes (University of Michigan)
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- David L. Mobley (UC Irvine)
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- Jacob I. Monroe (UC Santa Barbara)
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- Samarjeet Prasad (National Institutes of Health; Johns Hopkins University)
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- Daniel M. Zuckerman (Oregon Health and Science University)
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## List of Contributors
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<!-- We suggest listing contributers in order of addition. -->
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(Needs updating with everyone who provides input; should also list exactly what people did.)
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- Avisek Das (helped with outline and early brainstorming/planning of this document)
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## Paper writing as code development
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## Changelog
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<!-- Here, record summaries of important changes. A granular discussion of changes will be kept in GitHub by issue tracking.-->
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- Sept. 8, 2017: D. Mobley created repo, put in initial files from LiveCoMS.
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- Sept. 8, 2017: D. Mobley created repo, put in initial files from LiveCoMS.
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- Spring/early summer 2018: Finalize who will be involved and write/edit first version of the paper
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- Sept. 2, 2018: Final draft of version 1 submitted to LiveCoMS
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