[gmx-users] Forming a micelles

[Chih-Ying Lin]

Hi
Would you please say more about your system?
How do you design / decide your simulation size of 100 surfactants +100
co-surfactants + 4000 water molecules??

How many surfactants will form a micelle?
How many atoms does one surfactant have?
How many atoms does one co-surfactant have?

Do you start from the critical micelle concentration?
You mentioned that it took 3 x 600 ps to see the micelles.
Do you mean that you have 3 computers to do the parallel simulation?

How long does it take to simulate 600 ps?
Do you visualize the whole 600 ps-image and SEE the micelle?
Or, other technique to KNOW the surfactants forming the micelles
without visualizing the system?

Thank you
Lin





Hello there...
                   I carried out simulations of mixture of cationic
surfactants, fatty alcohols and water with various ratios of
surfactant/alcohol.  Usually for a system of 100 surfactants +100
co-surfactants + 4000 water molecules, it took 3 x 600 ps to see the
micelles and other structures  forming from random configurations.

Arun