hi, i want to use a different function than the Coulomb to calculate the electrostatics
between charged ions. So i am thinking to user the PME-user option for the electrostatics. The manual says for the PME-user option"The PME mesh contribution is subtracted from the user table by mdrun". what that means? should i have to add the short-range-potential (given by equation-4.33 in the manual) in the user table, because that will be subtracted with the mdrun? please let me know, and thanks a lot for your help _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
