Dear amber 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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Received on Wed Oct 19 2016 - 09:30:04 PDT
