Hi Tsjerk, Thanks for the reply. Yes, I had a reference to 'Protein' group in my .mdp file while running the CGMD. Now, after CG run I am trying to convert the CG to FG model using:
g_fg2cg -pfg topol_fg.top -pcg system_cg.top -n 0 -c cg.gro -o fg.gro So do I need to supply any other parameter to this command or how to mention this refering of 'Protein' group here. Thanks, Anirban On Thu, Feb 10, 2011 at 5:28 PM, Tsjerk Wassenaar <[email protected]> wrote: > 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 > <[email protected]> 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 [email protected] > > 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 [email protected]. > > 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 [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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