Re: [gmx-users] How to read .dat file

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.

Re: [gmx-users] How to read .dat file

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

[gmx-users] How to read .dat file

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