From: Dan Bolintineanu <dan.bolintineanu@ut...> - 2010-03-15 21:38:48
I was wondering if anybody has had any experience adding an arbitrary
background charge density with APBS. Is this even possible, or is
there a way to work around it? What I'm interested in is finding the
potential of mean force of a peptide crossing a membrane slab; in
addition to the variation in the dielectric constant and the ion
accessibility, I would like to add a spatially-dependent charge
density in the head group region to represent a charged lipid bilayer.
Many thanks in advance.
Department of Chemical Engineering
University of Minnesota