I tried recentering twice- running the above script on the output of the above script.

I also tried using crystal build cuto 100.

The resulting trajectory was analyzed with the script developed in this thread.

In both cases, the time series is fluctuating too much to represent a micelle that is not breaking apart from parts leaving the unit cell.

Would you like me to post trajectories, input, outputs?

One idea to bypass this problem which I used during other analysis is to work with all the time series and exclude the affected points. I tried "write all" , however this only writes 8 columns so columns 8-16 are in row 2. Is there a way to write all preserving columns?

Thankyou for the assistance
Matt

Last edited by swmmr1928; 08/13/13 01:59 PM.