Quite a few years ago I wrote a matlab script that would load in a trajectory (in the Gromacs .gro format) and measure the angle, relative to the average bilayer plane, of a transmembrane helical peptide: a peptide "tilt".
I no longer have this script. Has there become anything available during this time?
Thanks
g_helixorient (now gmx helixorient) was introduced in version 4.0 (fall 2008) and does, in part, exactly what you describe.
g_helixorient (now gmx helixorient) was introduced in version 4.0 (fall 2008) and does, in part, exactly what you describe.
Thanks, Justin. I should have asked this years ago. It would have saved me days of debugging moments of inertia.
Thanks again
Did you use gmx principal? It is possible to get the tilt angle of a helix after using gmx principal.
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