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
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