[gmx-users] Error: No such moleculetype Protein

[Tsjerk Wassenaar]

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.ghosh at 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
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-- 
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