this error is removed. becuse "ion.itp"was included twice in .top and .itp files. i have included two FF into topology file, one for protein and another one for bilayer.
Afsaneh On Mon, Jun 14, 2010 at 6:07 PM, Vitaly Chaban <[email protected]> wrote: > > When I generate the tpr file with grompp, I get the following error. > > "Fatal error: moleculetype CU1+ is redefined" > > I work on membrane protein that have no atomtype CU1+. why i get error on > > CU+? > > I have cheked [moleculetypes] in toplogy file and there are n't > > doplicated. > > How to remove this error? > > How many FF files have you included into the topology file? > > > Dr. Vitaly Chaban > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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