If I have water and solvent, and I only want to apply a short range switching function to the water - water interactions (not solvent - solvent or water - solvent), is it possible in Gromacs? I am interested in reproducing TIP4P-EW water.
If I add "coulombtype = PME-Switch" and "vdwtype = Switch" in the mdp file, it will apply to all interactions. Thanks. Jeff -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
