Re: [gmx-users] get 3 roation angles over time

You could use g_principal and follow the change in angles of the three principal axes of your group using simple maths. This might give you what you are looking for. Another way to look at rotations is to use the program DynDom, but this only works on individual structures not trajectories.

Re: [gmx-users] get 3 roation angles over time

Hi Marc, Which rotation angles? I suppose you mean the Euler angles, but then, XYZ, XYX, ZYZ? I may be able to help. Contact me off list if you're interested. Cheers, Tsjerk On Fri, Jan 1, 2010 at 9:02 AM, wrote: > Dear Gromacs users, > > my system consists of two rigid bodies "a" and "b". Th

[gmx-users] get 3 roation angles over time

Dear Gromacs users, my system consists of two rigid bodies "a" and "b". The body "a" has no rotation or translation over time. Body "b" rotates and translates over time. For my system I got the initial structure as PDB file and a XTC trajectory. How do I get in any easy way from the XTC trajector