[gmx-users] RMSD in Angstrom

João Henriques joao.m.a.henriques at gmail.com
Mon Oct 23 10:13:35 CEST 2017


This is more of a xmgrace related issue. Gromacs' length units have always
been nm and there's no way to "ask" for different units. Now you either
modify the file yourself (manually or with a simple awk one-liner) or ask
the plotting program to convert the units. I don't know about xmgrace, but
in gnuplot this is trivial to do. For example, "plot ... u 1:($2*10)".


On Mon, Oct 23, 2017 at 9:56 AM, Roshan Shrestha <roshanpra at gmail.com>

> Hi,
>      The default unit for RMSD in gromacs is in nanometer (nm). Are there
> any options available in gromacs so that I can have rmsd values in Angstrom
> while plotting it in xmgrace.
> Thanks
> --
> Roshan Shrestha
> M.Sc (Physics)
> Central Department of Physics, Tribhuvan University
> Kathmandu, Nepal
> --
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