Talk:Molecular dynamics

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Live md example available

I have put up a page that renders a live md simulation at 1 frame per second (DNA: CAT in Born solvent, AMBER force field and software). It may be suitable for inclusion in the external links section, since it gives an immediate look at md (if not, I think something similar should be used), moreover it has instructions and code for setting up your own simulation and web display. I expect to run dynamics on that page indefinitely, quite possibly the same molecule, because I am using the simulation as a source of noise for an artificial intelligence project that is the actual purpose of the web site. Since it's a personal project, it's not tied to grant money, so I hope it will last at least as long as I do, though with contributions I'd be willing to put it on a faster server to get smooth rendering (and/or do a bigger molecule with a GPU).

 http://phobrain.com/pr/home/mol.html

If wikipedia does javascript, we could embed the md on the wikipedia page itself too.

Phobrain (talk) 05:59, 6 May 2016 (UTC)[reply]

I don't think Wikipedia supports running JavaScript within articles (although there has been talk about wanting to implement JSmol in the Chembox and Drugbox templates). The external link could be useful although I could just as easily see another editor viewing it as unnecessary. Since you have a COI I'll add it and see if it sticks. Sizeofint (talk) 06:18, 6 May 2016 (UTC)[reply]

External links modified (February 2018)

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Should we fix "Examples of applications" section or leave it?

Hi, I am of the opinion that the Examples of applications section should give a more general overview of applications rather than focusing on specifics like it seems to currently. It very heavily references primary literature, what do you think? EvilxFish (talk) 14:38, 25 April 2018 (UTC)[reply]

Milestones can still be mentioned but general overview would seem better Galobtter (pingó mió) 17:25, 29 April 2018 (UTC)[reply]

Term Atomistics

The term "Atomistics" redirects here, but the article makes no use of the term. Are the terms "Molecular dynamics" and "Atomistics" synonymous, or should Atomistics be a topic within Molecular dynamics? I don't have enough knowledge about the field to know the best way to resolve this. Thank you. MissionInn.Jim (talk) 20:45, 23 November 2019 (UTC)[reply]

History of MD

What's about it? Жабыш (talk) 05:47, 3 December 2019 (UTC)[reply]