[gmx-users] eelctric field
Amin Rouy
aminrou1986 at gmail.com
Wed Nov 13 14:47:57 CET 2019
sorry I use gromacs/2016.1.
On Wed, Nov 13, 2019 at 2:44 PM Amin Rouy <aminrou1986 at gmail.com> wrote:
> Hi,
>
> I am using gromacs 5.0.4. I apply a uniform electric field in x direction
> of my box (no walls),
> E-x= 1 10 0, and simulation runs without error.
> I notice that the values of electrostatic interactions I get from the
> simulation is the same as without the an electric field. Which is strange,
> but according to previous questions in the gromacs forum this is true:
> ''gmx potential only calculates the electric field and potential of the
> system. It does not take into account the applied field.''
>
> Now, my question is are the other quantities obtaining from gmx energy
> take into account field effect? e.g. pressure of the system.
>
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