[gmx-users] water transport using CTRW model-

[Nikhil Maroli]

Dear all,

I have a 100ns trajectory of the nanotube in the lipid bilayer.I wanted to
study the water transport using the above-said method.
I need two parameters for single channel diffusive permeability constant.

1.  number of the water molecules which cross the channel per unit time .
2 average volume of a single water molecule

how I can obtain these from the trajectory or is there any other tools
available to do this particular study.


Thanks in advance



-- 
Regards,
Nikhil Maroli