[gmx-users] Re: g_msd and diffusion coefficent

[Vitaly Chaban]

Very easy. Just forget about those options:

g_msd

Vitaly




> Hi gromacs users
>
> I did simulation of pr-dna by gromacs. I want to obtain diffusion coefficent
> of pr to dna. I raed manual (g_msd) in which there are  diffusion
> coefficent only for 1 and 2 dimension as follows respectively :
>
> -type : Compute diffusion coefficient in one direction: no, x, y or z
>
> -lateral : Calculate the lateral diffusion in a plane perpendicular to: no,
> x, y or z
> how to use g_msd for calculation of diffusion coeffcient in 3D.
>
> Thanks a lot in advance.