> Dear all, > > I wish to calculate the dielectric constant of small molecules liquids. > In order to do so, I am simulating the system using PME, with epsilon_r > = 1. > > I have few questions: > 1. What is the meaning of epsilon_rf when I am using PME, if it > important, what it should be?
Have you looked in section 7.3? > 2. Whet is the best way to calculate the dielectric constant of the > simulation box, does g_dipole is enough or should I use g_dielectric also. I don't know. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
