[gmx-users] Calculate RMSD between snapshots of two trajectories
Dawid das
addiw7 at googlemail.com
Mon Jul 31 12:53:23 CEST 2017
Dear Gromacs Users,
I would like to get a simple plot of RMSD versus time for two trajectories
in *.gro
format, where RMSD is calculated between structures at the same time, i.e.
snap11 - snap12
snap21 - snap22
snap31 - snap32
snap41 - snap42
.
.
.
where snap31 means third snapshot of the first trajectory. I have run
gmx rms -s npt-md2.tpr -f traj1.gro -f2 traj2.gro -n
index.ndx -m rmsd-small-superlarge.xpm
command and after converting the .xpm file to .eps I can see the
graphical representation of the matrix. However, I would rather see just
RMSD vs time plot as I explained above. How can I do it?
Best wishes,
Dawid Grabarek
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