Long-Time Scale Events

Main content

A typical MD simulation of a biomolecule in aqueous solution covers a time period of 1 - 102 nsec. This is much too short for a proper description of properties which show a much longer relaxation time. Due to large energy barriers in the potential energy surface, it may take a molecular system a very long time to cross these barriers and so to sample configuration space. Therefore, possibilities to lengthen the time scale of MD simulations are continuously investigated.

 
 
Page URL: http://www.igc.ethz.ch/research/timescale.html
Sat Apr 29 12:03:42 CEST 2017
© 2017 Eidgenössische Technische Hochschule Zürich