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.afsa...@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 <vvcha...@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 > > -- > > 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 > > > -- 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 ---------------------------------------------------------------- Este mensaje fue enviado desde el servidor Webmail del Instituto de Biotecnologia. -- 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
