[gmx-users] Applying an electric field on lipids
sithara.perera1993 at gmail.com
Tue Nov 21 02:15:11 CET 2017
Yes. The system was stable and simulations showed that the bi-layer is
before applying an electric field.
On Tue, Nov 21, 2017 at 1:59 AM, Alex <nedomacho at gmail.com> wrote:
> 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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