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

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

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
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