[gmx-users] Diffusion Coefficient

[ankur gupta]

Dear Gromacs Users,
I want to calculate the diffusion coefficient of water near and far from
the protein and I have Root mean square deviation(RMSD)graph but dont know
how to calculate dissusion coefficient from it. So please help me out. Is
there any other way to calculate diffusion coefficient using
gromacs?Please let me know as early as possible as It is quite urgent.

Sincerely
Ankur Gupta


"You are making progress if each mistake You make is a new one"
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                               ANKUR GUPTA
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