Talk:Molecular dynamics

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)

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)

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)

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

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)

History of MD

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