Dear Gromacs users,
I want to determine the electrostatic and van der waals interaction energies of a solute with water. For that purpose, should I create two groups (solute and water) with the gmx make_ndx command or is there another option to calculate these interaction energies? Thank you in advance, C. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
