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!! Cheers, Vladimir
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