[gmx-users] RMSD in Angstrom
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>
> 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.
> Roshan Shrestha
> M.Sc (Physics)
> Central Department of Physics, Tribhuvan University
> Kathmandu, Nepal
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users