-------- Original Message --------
Subject: questions about surface tension
Date: Thu, 17 Jul 2008 21:27:28 +0800
From: Li Yang <[EMAIL PROTECTED]>
To: David van der Spoel <[EMAIL PROTECTED]>
Dir Sir
I must apologize if I've disturbed you.
I have been learning the molecular dynamics simulation. And now，I'm
interesting at the surface tension calculations. I have some questions
about it:
1. For the formula, \gamma_m=(P_N - P_L) * L_z / 2, is it only
available for a flat surface, like a lipid bilayer in water ? For
example, the surface fluctuation of lipid bilayer often occur in the
simulation, sometimes, the surface is not flat but bending, in such a
case, is the formula still available? What about the vesicle?
2. In my system, there are a bilayer patch and a NP of ~10nm, they are
all in water. At the beginning (state 1), NP and the bilayer don't
contact each other. After some nanoseconds runtime, NP adsorbs on the
surface of the bilayer (state 2). Finally(state 3), the NP embeds into
the inner of the lipid bilayer.
In this case, how can I measure the changing surface tension of the
LIPID BILAYER during the simulation? Is the formula above available for
my system?
In state 1, is that meaning there are four interface in the system? What
about the case (state 2,3) that the NP contacting the bilayer ?
I hope I've describe my questions clearly. Any suggestion or recommended
reference will be appreciated.
Thank you very much, wait for your reply.
Sincerely
Li Yang
Li Yang
[EMAIL PROTECTED]
2008-07-17
--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
