[gmx-users] membrane model

[ABEL Stephane 175950]

Hi Anu,

You may interested by the recent work of Klauda et al. where the authors developed a united atom force field for (phospho)lipids based on CHARMM36. It seems to work quite well 



(1) Lee, S.; Tran, A.; Allsopp, M.; Lim, J. B.; Hénin, J.; Klauda, J. B. CHARMM36 united atom chain model for lipids and surfactants. J. Phys. Chem. B 2014, 118, 547–56.


Best 


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Message: 4
Date: Fri, 19 Jun 2015 15:52:14 +0100
From: anu chandra <anu80125 at gmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Subject: [gmx-users] membrane model
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Dear Gromacs users,

I am planing to do a protein simulation in acyl chain united-atom POPC
membrane model. It will of great help if few of my queries regarding
setting up the system get answered.

1. Which force filed will be suitable for united atom (acyl chain) POPC?
Will CHARMM36 have united atom force filed for POPC?

2. can somebody suggest me a site where I can get united atom membrane
model of POPC membrane?

3. Will CHARMM-gui a good option for build the this particular system?


Many thanks in advance
Anu