[gmx-users] Calculating electric potential in Gromacs

Bob Johnson robertjo at physics.upenn.edu
Fri Nov 4 21:07:14 CET 2005

Hello everyone,
Is there anyway to calculate the electric potential in Gromacs. I am using
particle mesh ewald which, in my understanding, calculates the electric
potential on a grid and interpolates between the grid points. Is there a way to
extract this information?

My system consists of ssDNA and a carbon nanotube. I would like to calculate the
electric potential at the surface of the nanotube upon adsorption of ssDNA.

Bob Johnson

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