[gmx-users] Membrane protein tilt.

[John Simms]

Hi All, 
I am asking for some advise, I work with a class of GPCRs (unrelated to the rhodopsin family inwhich a crystal structure exists and homology models can be build) and am in the middle of building a model de novo. My question is regarding transmembrane tilts with respect to the lipid bilayer. If I start with a helix normal to the membrane and let it run, will it adopt its equilibrium position (given enough time; within the constraints of computer power)? The other question is there are alot of environments which this can be done in (methane, methanol, octane as well as a bilayer) anyone tried the environments for helical tilts and found best/worse?? Finally, has anyone done this using a monte carlo approach?
As usual any help will be greatfully accepted.
Cheers
John