[gmx-users] starting structure of DLPC lipid bilayer
arloa at mail.fcq.unc.edu.ar
Tue Feb 22 12:11:06 CET 2005
On Monday 21 February 2005 08:18, 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.
For the structure you just delete the last 4 atoms (CH2-CH3) in each chain of
the DPPC molecule.
For the topology you delete the corresponding entries in [atoms], [bonds],
[angles], and [dihedral]. Then use the topology tools by Anton Feentra
available in the GMX website.
If you like, I can send you the topology I made together with equilibrated
membranes of 64, 128, or 256 DLPC molecules.
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