[gmx-users] How can I select a group number automatically

[Xiaobin Cao]

Hi Gromacs users,

When I do msd analysis (g_msd), there is a promotion to select a group number. I am wondering  how can I select a number using a script. So the computer can do analysis automatically. 

Thank you.

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Xiaobin Cao
Dept of Geology & Geophysics
E235, Howe-Russell Geosciences Complex,
Louisiana State University, Baton Rouge, LA 70803, U.S.A.