Dear All users I used OPLS ff for my system. After md production I get this error:
Fatal error: A charge group moved too far between two domain decomposition steps This usually means that your system is not well equilibrated. maryam abbasi, PhD student of Medicinal Chemistry Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences (http;//pharm.mui.ac.ir/) Isfahan University of Medical Sciences (http://www.mui.ac.ir), Hezar Jerib Ave. Isfahan, I.R.IRAN -- 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
