Hi Anirban, Probably you have a reference to a group 'Protein' in your .mdp file.
Cheers, Tsjerk On Thu, Feb 10, 2011 at 12:01 PM, Anirban Ghosh <reach.anirban.gh...@gmail.com> wrote: > Hi, > I am trying to convert a CG system containing multiple copies of a protein + > lipid + water + ions to an all-atom system using the special gromacs_reverse > version command g_fg2cg. However I am getting the error: > ----------------------------------------------------------------------------------------------- > calling cpp... > processing topology... > Generated 4 of the 780 non-bonded parameter combinations > Cleaning up temporary file grompp9YJMaA > ------------------------------------------------------- > Program g_fg2cg, VERSION 3.3.1 > Source code file: ../kernel/toppush.c, line: 1293 > Fatal error: > No such moleculetype Protein > --------------------------------------------------------------------------------------------- > I have checked all the include statements and .itp files, but cannot fix the > issue. Is seems to be very trivial but still exists. > Any suggestion is welcome. > > Thanks, > Anirban > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists