[gmx-users] Applying an electric field on lipids

[Alex]

Do you precede your production simulation with a relaxation run without 
an electric field?

Alex


On 11/20/2017 12:16 PM, Sithara Perera wrote:
> Dear gmx-users,
>
> I'm doing molecular dynamic simulations of protein interaction with lipid
> bi layers using CGmartini force fields under an electric field.
>
> But when I apply the electric field and simulated for 50 ns under
> -0.7mV/nm, the bi layer moves in the electric field and then eventually
> reaches the bottom of simulation box. So it is not possible to see the
> protein interaction with the bi layer. I tried applying position restrains
> on z axis, but then the box dimensions started to change
>
> The bi layer a 512DPPC bi layer.
> What can I do to fix this??
>
>
>
> ---------
> Sithara Perera
> USJP