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

[Mijiddorj Batsaikhan]

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