[gmx-users] bilayers move apart by nanometers upon implementing dihedral restraints on lipid tails

A gel-state all-trans lipid bilayer is going to be thicker than a liquid-phase lipid bilayer. I presume that you are starting far away from the all-trans conformation and I can imagine that this could lead to a net force that pushes the lipids apart. Inertia might just take it from there. You

Re: [gmx-users] bilayers move apart by nanometers upon implementing dihedral restraints on lipid tails

On 7/5/12 10:25 AM, himanshu khandelia wrote: I am trying to implement dihedral restraints for lipids in a bilayer using what is suggested here: http://www.gromacs.org/Documentation/How-tos/Dihedral_Restraints However, although the dihedral angles seem to be restrained fine, the leaflets move

[gmx-users] bilayers move apart by nanometers upon implementing dihedral restraints on lipid tails

I am trying to implement dihedral restraints for lipids in a bilayer using what is suggested here: http://www.gromacs.org/Documentation/How-tos/Dihedral_Restraints However, although the dihedral angles seem to be restrained fine, the leaflets move apart by 10s of nanometers along +z over a nanose