Dear gromacs users, In the gromacs example mdp-file for water (/tutor/water) one can find " ; Dielectric constant (DC) for cut-off or DC of reaction field epsilon-r = 1 "
Does it mean that the simulation will be hold as if DC of H2O were equal to the DC of vacuum? Does one need to correct it to the corresponding experimental value for water to obtain a real system? Thanks, Vitaly _______________________________________________ gmx-users mailing list [email protected] http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
