[gmx-users] Re: g_msd and diffusion coefficent

Vitaly Chaban vvchaban at gmail.com
Mon Jun 28 15:01:40 CEST 2010

Very easy. Just forget about those options:



> 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.

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