Sorry.
I understood the problem! I included ions.it twice.
Thanks,
Velia
-------- Messaggio Originale --------
Oggetto: problem after genion
Data: Fri, 19 Jun 2009 11:21:05 +0200 (CEST)
Da: Velia Minicozzi <velia.minico...@roma2.infn.it>
A: gmx-users@gromacs.org
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/
*********************************
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