Dear Gromacs Users, My file has no problem when i grompp with verison of 4.0.7
When i swith to Gromacs 4.5.3 and grompp my file, it gives this reports: ---------------------------------------------------------------- NOTE 3 [file grompp.mdp]: You are using a plain Coulomb cut-off, which might produce artifacts. You might want to consider using PME electrostatics. Largest charge group radii for Van der Waals: 4.986, 4.983 nm Largest charge group radii for Coulomb: 6.719, 6.712 nm WARNING 1 [file grompp.mdp]: The sum of the two largest charge group radii (13.430987) is larger than rlist (1.200000) ----------------------------------------------------------------------------------- Is there anyone who can help see why different version mak such problem? How to solve the problem? Thanks a lot! Tom -- 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
