[gmx-users] Re: moleculetype CU1+ is redefined

[Lucio Ricardo Montero Valenzuela]

You should be careful working with two force fields. They have to be compatible.
See
http://www.gromacs.org/index.php?title=Documentation/How-tos/Parameterization&highlight=mix.
Mensaje citado por afsaneh maleki <maleki.afsaneh at gmail.com>:

> 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 <vvchaban at gmail.com> 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
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>


-- 
Lucio Ricardo Montero Valenzuela
Estudiante de doctorado en Ciencias Bioquímicas
Lab. del Dr. Federico Sánchez
Instituto de Biotecnologia, UNAM
Departamento de Biologia Molecular de Plantas
Av. Universidad 2001, Col. Chamilpa
Cuernavaca 62210
Mexico

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