VMD-L Mailing List

From: zhenlong li (zxl1000_at_gmail.com)
Date: Thu Aug 23 2007 - 10:07:49 CDT

Dear all:

   My system starts from homogeneous dispersion of surfactants in solution.
And the DCD file records the whole process of micellerization. Now I define
that any molecule pair within certain distance belongs to the same
aggregation and try to get information such as aggregation numbers, numbers
of aggregation, lifetime of aggregations, residence time of unimers in
micelles every timestep. I just wonder if there is any script or tool to do
this, or any good idea to deal with aggregations crossing the boundaries.
Thanks in advance.

best,
Zhenlong