[gmx-users] Diffusion

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Fri Mar 22 20:39:33 CET 2002

Dear All,

I'm simulating a system of argon atoms using GROMACS. I would like to
calculate the diffusion coefficient by using Einstein relation. Has anyone
done this? If so, please tell me how to do that. Thanks in advance.


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