[gmx-users] how much ns

Mark Abraham Mark.Abraham at anu.edu.au
Fri Nov 7 08:48:06 CET 2008

vivek sharma wrote:
> Hi Marc,
> Can you give an approximate time estimate for too short and too long 
> time of simulation, if I am running simulation for protein in water to 
> see the conformational changes ?

It varies wildly. Some biochemical processes might happen inside a 
nanosecond. Others take lifetimes (obviously!). One needs to understand 
something of the timescales of the experimental version of the system in 
order to simulate profitably. The only way to do that is serious legwork 
in the literature.


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