Chih-Ying Lin wrote:
Hi
I heard that it takes very long to see a micelle forming.
How long should be the simulation time to see the micelle forming?
How many nanoseconds to put on the simulation?
Is there any particular difference to simulate the micelles than other system?
My simulation steps are
1. prepare the topology files and coordinate files for the water and the solute
2. do the minimisation
3. generate the simulation box
4. put water and solute together
5. run MD with longer simulation time
@Article{ Marrink2000a,
author = "S. J. Marrink and D. P. Tieleman and A. E. Mark",
title = "Molecular dynamics simulation of the kinetics of
spontaneous micelle formation",
journal = "J Phys Chem B",
year = 2000,
volume = 104,
pages = "12165-12173"
}
Thank you
Lin
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
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
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
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
