Dear GMX-users,
I'm trying to do self-assembly of bilayer. I'm using coarse-grained model
(MARTINI), and there are 1280 CG lipids and 30110 CG waters. I followed
procedures of Marrink and de Vries's atomistic simulations of the bilayer
self-assembly. So, I simulated the randomly-positioned system with isotropic
pressures for a while, and then run the system with anisotropic pressure (shown
below). I've tried this a couple of times, but I always got tilted multiple
bilayers (due to anisotropic pressure, the box x,y,z dimensions become even
awkward.). How can I get only one bilayer (normal to z-direction) ? Do I
need to apply other pressure couplings? Or, am I using too much water?
Thanks for your help in advance.
best,
Hwankyu.
------------
tau_p = 0.2 0.2 0.2 0.2 0.2 0.2
compressibility = 3e-5 3e-5 3e-5 3e-5 3e-5 3e-5
ref_p = 1.0 1.0 1.0 1.0 1.0 1.0
-----------
_________________________________________________________________
나의 글로벌 인맥, Windows Live Space!
http://www.spaces.live.com
_______________________________________________
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
