Hi, You may want to use a Poisson-Boltzmann solver, e.g., APBS for this purpose. Ran
Vladimir Lankevich wrote: > 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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
