[gmx-users] Difference between POPI and DOPI membranes? and about lipid headgroups

[jkrieger at mrc-lmb.cam.ac.uk]

You're welcome.

> Dear James,
>
> Thank you very much for your helpful suggestion.
>
> Best regards,
>
>
>
> Message: 3
> Date: Wed, 19 Oct 2016 22:57:15 +0100
> From: jkrieger at mrc-lmb.cam.ac.uk
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] Difference between POPI and DOPI membranes?
>         and about lipid headgroups
> Message-ID:
>         <cfdd105d169d798b20da73dc53537f84.squirrel at mail.mrc-lmb.cam.ac.uk>
> Content-Type: text/plain
>
> My suggestion is to mix and match parameters to extend from overlapping
> regions. I did that to model GABA from glutamate and lysine. I just found
> this thread via a google search that suggests DOPC and POPI
> http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2014-2015/2406.html
>
> Best wishes
> James
>
>> Dear gmx users,
>>
>> I would like to simulate DOPI membrane system. I could not find DOPI
>> membrane model from Charmm-gui, and I read that the closest one is POPI
>> bilayer. I checked atoms of the lipids. First, there are carbons end of
>> one
>> tail needed to DOPI. Second, I need to change bond type from double to
>> single in the middle of two tails.* (1) *Can I use the parameters of the
>> POPI for DOPI membrane?
>>
>> In the head groups (PO4), there is a protonated oxygen in DOPI membrane
>> figure. *(2).* Can I use deprotonated head group for my simulations?
>>
>> Please, suggest and advice me?
>>
>>
>> Best regards,
>>
>> Mijiddorj
>> --
> --
> 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-request at gromacs.org.
>