[gmx-users] question about all atoms lipid molecule structure and force field

[LuLanyuan]

Hi,
You can find some configurations here:
http://persweb.wabash.edu/facstaff/fellers/
And I think you can use Charmm FF.
Lanyuan

Date: Wed, 14 Oct 2009 11:29:26 -0700
From: kgp.amit at gmail.com
To: gmx-users at gromacs.org
Subject: [gmx-users] question about all atoms lipid molecule structure and	force field

Dear all,
I have been trying to search for an all atom DPPC sructure (including the missing Hydrogens of long chain hydrocarbons) and then do an all atoms md simulation on it. I havent yet found any such structure or any force field that could be used for it on the internet. Is anybody familiar with any such work ?

Is there any all atom model for hydrocarbons which is incorporated in Gromacs? I am not 100 % sure about it.
I want to do this to parametrize another force field which essentially uses all atom model.

Thank you,Amit 		 	   		  
_________________________________________________________________
MSN十周年庆典，查看MSN注册时间，赢取神秘大奖
http://10.msn.com.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091014/88b31ae3/attachment.html>