hi GMX users i want to use Reaction-Field for coulombtype in mdp file. i dont know that what parameters must be added in mdp file. i saw the following parameters in some of mdp fiels:
; Method for doing electrostatics coulombtype = reaction-field rcoulomb-switch = 0 rcoulomb = 0.80 ; Dielectric constant (DC) for cut-off or DC of reaction field epsilon-r = 1 epsilon-rf = 0 What values can rcoulomb-switch take? what values are the best for epsilon-r and epsilon-rf? Thank you sincerely. -- 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.
