[gmx-users] Re: starting structure of DLPC lipid bilayer

[Zhu, Qing]

>Message: 2
>Date: Tue, 22 Feb 2005 08:11:06 -0300
>From: Marcos Villarreal <arloa at mail.fcq.unc.edu.ar>
>Subject: Re: [gmx-users] starting structure of DLPC lipid bilayer
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Message-ID: <200502220811.06318.arloa at dqb.fcq.unc.edu.ar>
>Content-Type: text/plain;  charset="iso-8859-1"
>
>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.
>
>Saludos,
>		Marcos.
>
>

Dear Macros:

Thank you for the very helpful suggestions. I will try to build the structure as the way you said first, and also it will be great that if you can send me the topology with the DLPC membranes you made, which could be very good examples for me.

Thank you very much!

Qing Zhu
Chemical Engineering
Texas Tech Univ.