> Thanks Hess for your reply. However i have one > question still in mind. Suppose I am simulating a electro-osmotic > channel flow and the system is water. I will try to calculate the > dielectric constant. What value of dielectric-r should i take. Should > it be 80 or 1? > Please help me. >
It depends on the method to treat electrostatic interactions in the system. The manual is your best friend. When you try to calculate DC you should understand that the state of the theory of DC is not still perfect and it is not in any case easy to reproduce the DC excellently. This depends not on the FF model but on the way you estimate DC of the system. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq., 4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ 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
