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 :-)
Mark
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