[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.
Thanks,
Bob Johnson
More information about the gromacs.org_gmx-users
mailing list