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-boun...@maillist.sys.kth.se [gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of gejingming [531015...@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";<tsje...@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-us...@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" <531015...@qq.com> wrote: > thanks a lot for your reply! > > > ------------------ 原始邮件 ------------------ > 发件人: "我自己的邮箱";<531015...@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@maillist.sys.kth.se>; > > 主题: [gmx-users] can you Provide cardiolipin parameter file? > > > > dear sir, > I want to do Molecular Dynamics Simulations use gromacs,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! > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
