The file rms.xvg contains only RMSD values against the reference PDB structure;
what I need to know is the contents of RMSD matrix between 2 trajectories.
Qing
At 2017-06-15 15:17:08, "Dd H" wrote:
>I think this link should be helpful.
>http://manual.gromacs.org/programs/gmx-rms.html
>You can
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 wrote:
> I generated a .dat file with the following command:
> gmx rms -s .
I generated a .dat file with the following command:
gmx rms -s .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 a