[gmx-users] Electric field, potential, dielectric constant

Vladimir Lankevich vladimir.lankevich at gmail.com
Thu Jun 17 00:39:43 CEST 2010

Dear Gromacs Users,

I have several questions about electrostatics in Gromacs.
I am simulating two proteins in water, separated by certain distance, and
was interested in their electrostatic interactions.

I was wondering if Gromacs can calculate and show me values of electric
field or electric potential at any point within the volume. If yes, how can
this be done?

I looked through the manual and did not find much. I tried using
g_potential, but it only gives me ten values for electric field (if I use 10
slices, and particular direction).
This confused me, because I thought that in the system each coordinate would
have different electric field.
How should I interpret the results of g_potential?

Also, can I use Gromacs to compute dielectric constant of a particular
region within the volume? How can I do that?

Thank you very much!!

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