[gmx-users] AFM pulling

Susanna Hug s_hug at hotmail.com
Mon Aug 14 13:23:28 CEST 2006

Hi gmx-users!

I am trying to simulate the diffusion of mannitol through a lipid bilayer 
with AFM pulling.
Does someone have a idea, how I can calculate the diffusion coefficent from 
the potential of mean force?
I have some references, but for different methodes like umbrella sampling.

Thanks for your help in advance


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