Hi everybody, I'm trying to run simulations with a charge distribution within one single atom. Is there a way to create a molecule, in which every atom has a charge distribution - more charge points at one atom.
Is it possible to run a simulation in a polarizable electric continuum in stead of simulating the molecules of the solvent? Regards, Rolf _______________________________________________ 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
