[gmx-users] starting structure of DLPC lipid bilayer

David L. Bostick dbostick at physics.unc.edu
Wed Feb 23 00:36:17 CET 2005

In the past I have created a DLPC bilayer from a DPPC bilayer by clipping
the tails of the DPPC molecules.  It's fairly easy to do and if you run it
with pressure coupling in the z-dimension only for a few nanoseconds, the
bilayer thickness converges pretty quickly.  You can then switch back to
semiisotropic coupling and keep running.


David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165
Program in Molecular and Cellular Biophysics
UNC-Chapel Hill
CB #3255 Phillips Hall				dbostick at physics.unc.edu
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick

On Mon, 21 Feb 2005, Qing Zhu wrote:

> hello everyone,
> I want to simulate a mixture of DPPC and DLPC lipid bilayers, and there
> is a problem about the starting structure. It is easy to find DPPC
> lipids to start with, but I could not find the structure of DLPC lipids.
> Does anyone know where I can find DLPC lipids I need?  If there is
> nothing of DLPC lipids available, is there an easy way that I can make
> the DLPC lipids myself? Any suggestions will be helpful and appreciated.
> Thanks a lot.
> Qing Zhu
> Chemical Engineering
> Texas Tech Univ.
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