[gmx-users] Applying an electric field on lipids
nedomacho at gmail.com
Mon Nov 20 21:29:16 CET 2017
Do you precede your production simulation with a relaxation run without
an electric field?
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
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