Hello everyone, For a system of water (SOL) and ion (NA), if a speical potential needs to be applied only to SOL and NA, we have to make a user-define tabulation potental table_SOL_NA.xvg. And then the table.xvg is for the other groups of SOL SOL and NA NA.
Here is the question, for groups of SOL SOL and NA NA, when table.xvg is adopted, the default electrostatic interaction (1/r) algorithm is the cut-off scheme. How could we use other schemes such as PME for that under periodic boundary condition? Stone -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
