[gmx-users] Brownian dynamics

Mark Abraham Mark.Abraham at anu.edu.au
Mon Dec 24 11:59:02 CET 2007

Yin Jian wrote:
> Hi Mark,
> Thanks for the message.
> But the friction is just I want to add in. The dipole of the water
> I may use the dielectric constant to mimic its screening. So I donot
> Think the information on this page helpful. What is its vacuum? The 
> model of water is just three LJ balls and a dipole, right?

I'm not understanding the whole of what you're asking here.

> Anyway what I am concerning is the so called Brownian dynamics
> In gromacs is a valid version or not yet?

The algorithm works and has been around for a while. Whether it's useful 
for your problem is something for you to assess :-)


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