Dear users, I used genion to neutrilize my system with two Na+ ions.
Now with my new .gro and .top file and with a minimization (mdp) input file I try to make a .tpr file with grompp in order to minimize my structure. When I run grompp I get an error > >Program grompp, VERSION 3.3.3 >Source code file: toppush.c, line: 967 > >Fatal error: >moleculetype CU2+ is redefined > but I have any CU2+ atom! I have a Zn2+, so I really don't understand what it does mean. Thanks in advance, Velia ********************************* Velia Minicozzi Department of Physics University of Rome "Tor Vergata" Via della Ricerca Scientifica, 1 00133 Rome - Italy tel. +39 06 72594554 fax. +39 06 2023507 http://biophys.roma2.infn.it/ ********************************* _______________________________________________ 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/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/mailing_lists/users.php
