The Tilt

Discuss methods to obtain meaningful observables from simulation trajectories. You can share scripts or just ideas and links to other communities are very welcome, too. For Hippo-specific analysis have a look at the Hippo -> Analysis forum.
Post Reply
m.kalavera
Posts: 29
Joined: Mon Feb 09, 2009 10:58 am

The Tilt

Post by m.kalavera » Thu Jun 18, 2009 9:46 am

hello everybody,
I was just wondering, if I got the right idea about the tilt angle, because the paper referenced [13] in the hippo-wikipedia, didn't helped me to understand the method for the tilt-calculation and what is the difference between tilt and kink. The "kink" method seems to be clear, based on the method explained in the paper (SWINK and the fit through the helices with N and C vector).
Plz help me to understand what a tilt is and how it is calculated by hippo.
Thanks allot for all your help,
M.Kalavera

m.kalavera
Posts: 29
Joined: Mon Feb 09, 2009 10:58 am

Re: The Tilt

Post by m.kalavera » Thu Jun 18, 2009 1:47 pm

A really great problem has occurred right now:
Using the same tool that worked for more than 20 simulations, produces now errors with 20 others which are nearly the same an even MD or MC. The analysis tool writes out the following lines into the z-file:
  • MCstep z tilt kink
    0 nan 0.0000 0.0000
    10000 nan 0.0000 0.0000
    20000 nan 0.0000 0.0000
    30000 nan 0.0000 0.0000
    40000 nan 0.0000 0.0000
    50000 nan 0.0000 0.0000
    60000 nan 0.0000 0.0000
and so on ...

The analysis makes one extra file, that doesn't occur normally : z_tilt_av10.dat

What can I check to find the failure ? The error file analysis_log.txt seems to be, ok. No errors in it.
The second file, analysis_log_errors.dat, is empty in every case.
It is very important for me, to use this tool on all simulations, because of the comparison between all of them.
Your M.kalavera

Post Reply