> One other way to KNOW the surfactants formed micelle is by measuring the
> surface tension (use g_energy). But g_energy gives surface*surface tension
> value, so you'll need to work on that. (HINT: Surface tension value drop
> drastically at CMC)
the surface tension drop is due mainly to the pr
Dear Lin,
Actually I chose the concentration randomly and viewed the
pictures. I used united atom force field. Surfactant is Behenyl trimethyl
ammonium chloride and co surfactant is stearyl alcohol. I did carry out
simulations for 4 different concentrations. I did not carry out simulat
Dear Lin,
I have suggestions:
Micelles should (theoretically) form above the CMC. So if you want a micelle,
the concentration should be >>CMC
I suggest that you find the CMC experimentally, then convert the concentration
to nm^3 (let say: mv/1000nm^3)
The number of molecules should be able to ob
>Date: Wed, 24 Sep 2008 10:15:44 -0700
>From: "Chih-Ying Lin" <[EMAIL PROTECTED]>
>Subject: [gmx-users] Forming a micelles
>To: [EMAIL PROTECTED]
>Cc: gmx-users@gromacs.org
>Message-ID:
> <[EMAIL PROTECTED]>
>Content-Type: text/plain; charset=ISO-8859-1
>
>Hi
>Would you please say more about yo
> I heard that it takes very long to see a micelle forming.
I believe it's quite true.
> How long should be the simulation time to see the micelle forming?
> How many nanoseconds to put on the simulation?
I suggest you to use ngmx (or VMD) to monitor the trajectory and catch
the moment you are i
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