[gmx-users] eelctric field

Amin Rouy aminrou1986 at gmail.com
Wed Nov 13 14:45:09 CET 2019


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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