Editing Time step

Jump to navigation Jump to search
Warning: You are not logged in. Your IP address will be publicly visible if you make any edits. If you log in or create an account, your edits will be attributed to your username, along with other benefits.

The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.

Latest revision Your text
Line 1: Line 1:
{{Stub-general}}
{{Stub-general}}
The '''time-step''' (often written as <math>\delta t</math>) is an important variable in [[molecular dynamics]] simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for simulations of [[flexible molecules]].
The '''time-step''' is an important variable in molecular dynamics simulations. It is usually of the order of femto (<math>10^{-15}</math>) seconds for molecular simulations.
==Multiple time steps==
==Multiple time steps==
<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett,  D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref>
<ref>[http://dx.doi.org/10.1080/00268977800100471 W. B. Streett,  D. J. Tildesley and G. Saville "Multiple time-step methods in molecular dynamics", Molecular Physics '''35''' pp. 639-648 (1978)]</ref>
Line 9: Line 9:
==References==
==References==
<references/>
<references/>
'''Related reading'''
*[http://dx.doi.org/10.1063/1.3493459 P. Faccioli "Molecular dynamics at low time resolution", Journal of Chemical Physics '''133''' 164106 (2010)]
*[http://journal.kcsnet.or.kr/main/j_search/j_download.htm?code=B000413 Jong-In Choe and Byungchul Kim "Determination of Proper Time Step for Molecular Dynamics Simulation", Bulletin of the Korean Chemical Society '''21''' pp. 419-424 (2000)]
[[category:molecular dynamics]]
[[category:molecular dynamics]]
Please note that all contributions to SklogWiki are considered to be released under the Creative Commons Attribution Non-Commercial Share Alike (see SklogWiki:Copyrights for details). If you do not want your writing to be edited mercilessly and redistributed at will, then do not submit it here.
You are also promising us that you wrote this yourself, or copied it from a public domain or similar free resource. Do not submit copyrighted work without permission!

To edit this page, please answer the question that appears below (more info):

Cancel Editing help (opens in new window)

Template used on this page: