[gmx-users] Re: g_msd and diffusion coefficent

Vitaly Chaban vvchaban at gmail.com
Tue Jun 29 10:16:11 CEST 2010

Use NDX file.

Dr. Vitaly V. Chaban

> in my system, there are pr, dna, water and Na and I want to obtain diffusion
> of  pr in dna but when I use g_msd command, gromacs says select only 1
> group. should be this group pr or dna?

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