[gmx-users] Calculating diffusion coefficient in three dimension

[Dr. Vitaly Chaban]

MSD is 3D by default.


Dr. Vitaly V. Chaban


On Tue, Nov 12, 2013 at 6:01 AM, Venkat Reddy <venkat4bt at gmail.com> wrote:
> Dear all,
> I am simulating a spherical lipid vesicle. I want to calculate the
> diffusion coefficient for each lipid component in 3D. How to calculate it
> using g_msd (or any other tool like g_velacc)?
>
> Thank you for your concern
>
> --
> With Best Wishes
> Venkat Reddy Chirasani
> --
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