[gmx-users] time of dynamic

Mark Abraham Mark.Abraham at anu.edu.au
Mon Dec 1 08:35:04 CET 2008

shahrbanoo karbalaee wrote:
> Dear Justin/mark
> would you please tell me for compare dynamic peptide what time for MD
> is enough by gromacs?generally.
> I think 20ns enough ,what do you think? many people suggest 120ns !!!!

It depends on the properties of your system and what you're trying to 
observe. Check the literature for what others have done with systems of 
similar size and type measuring the same observables as you. Many 
nanoseconds is probably right.


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