[gmx-users] Regarding membrane construction

[Venkat Reddy]

Dear all,
I am studying a membrane protein of length 288 residues. I want to simulate
in a DPPC bilayer. I have downloaded dppc equilibrated bilayer from Peter
Tieleman's website as directed by Justin in his membrane-protein tutorial.
But I found 128 lipid membrane is not enough for my protein. From the
literature, I found I need  81 lipids in each leaflet. How can I construct
a 162 lipid equilibrated bilayer? I tried CHARMM-GUI to build it. But the
equilibration is giving RATTLE error. Please help me in this regard.

Thank you

Venkat