[gmx-users] 回复： 回复： can you Provide cardiolipin parameter file?

[Piggot T.]

Hi,

Here is a CG one:

http://lipidbook.bioch.ox.ac.uk/package/show/id/31.html

and here is an atomistic one:

http://lipidbook.bioch.ox.ac.uk/package/show/id/61.html

The atomistic one was used in a bacterial membrane, so you will likely have to change the tails to make an appropriate mitochondrial lipid. There are likely to be parameters out there for other force fields (for example, I have seen work using both Berger and CHARMM based force fields simulating cardiolipin) so a good search might well find these too.

Cheers

Tom

--
Dr Thomas Piggot
University of Southampton, UK.


________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of gejingming [531015644 at qq.com]
Sent: 09 May 2014 09:24
To: 我自己的邮箱
Subject: [gmx-users] 回复：  回复： can you Provide cardiolipin parameter file?

Cardiolipin (CL), the signature phospholipid of a
mitochondrion,has broad  mitochondrial activities.

The molecular formula:C81H138O17P2.
thanks a lot!








------------------ 原始邮件 ------------------
发件人: "Tsjerk Wassenaar";<tsjerkw at gmail.com>;
发送时间: 2014年5月9日(星期五) 下午3:37
收件人: "Discussion list for GROMACS users"<gmx-users at gromacs.org>;

主题: Re: [gmx-users] 回复： can you Provide cardiolipin parameter file?



Which cardiolipin?

Cheers,

Tsjerk
 On May 9, 2014 9:23 AM, "gejingming" <531015644 at qq.com> wrote:

> thanks a lot for your reply!
>
>
> ------------------ 原始邮件 ------------------
> 发件人: "我自己的邮箱";<531015644 at qq.com>;
> 发送时间: 2014年5月9日(星期五) 下午3:01
> 收件人: "gromacs.org_gmx-users"<gromacs.org_gmx-users at maillist.sys.kth.se>;
>
> 主题: [gmx-users] can you Provide cardiolipin parameter file?
>
>
>
> dear sir,
>  I want to do Molecular Dynamics Simulations use gro​macs,but I can not
> find cardiolipins(CL) parameters. can you Provide cardiolipin pdb file and
> parameter(*itp) file?Which is better united atom force field. thank you
> very much!
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