[gmx-users] How to read .dat file

[Dd H]

I think this link should be helpful.
http://manual.gromacs.org/programs/gmx-rms.html
You can have a look at rms.xvg file, it contains rmsd values.

Best regards,
Dading Huang


On Wed, Jun 14, 2017 at 7:05 PM, Qing Lv <lvqingjiejie at 163.com> wrote:

> I generated a .dat file with the following command:
> gmx rms -s xxxx.pdb -f 1.xtc -f2 2.xtc -n index.ndx -o rms.xvg -m rms.xpm
> -bin rms.dat
> But how to read the binary file rms.dat?
>
>
> The reason is that,
> I found the lowest RMSD in RMSD matrix (rms.xpm) is 0.52 nm; how to know
> which frame in 1.xtc and which frame in 2.xtc have this minimal RMSD?
>
>
> Thanks,
> Qing
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