Check your topology file (.top) and make sure you have ions.itp imported and that you are using the proper naming convention of sodium for your force-field.
Hope that helps. =================== Micholas Dean Smith, PhD. Post-doctoral Research Associate University of Tennessee/Oak Ridge National Laboratory Center for Molecular Biophysics ________________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Puneet <puneet.k...@adibackoffice.net> Sent: Wednesday, December 09, 2015 7:33 AM To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] gromacs error Hello I am doing Protein-Ligand simulation and I face following error while running command "grompp -f em_real.mdp -c solv_ions.gro -p topol.top -o em.tpr". Kindly assist me how can I rectify error ? Error Program grompp, version 3.3.3 source code file: toppush.c, line: 1396 Fatal error: No such moleculetype NA Please reply as soon as possible its really urgent for me. Regards Puneet Kaur -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
