[gmx-users] Problem with lipid simulations

[patrick fuchs]

Hi Chandu,
this looks like you have two statements #include "lipid.itp", so check 
all your *.top and *.itp files.
Ciao,

Patrick

csreddy at ncbs.res.in a écrit :
> Dear All,
> I have been trying to simulate a small peptide in a DMPC lipid bylayer.
> Same setup is working fine in one computer (cluster) but I am getting the
> following error message in another cluster.
> grompp_mpi -f test.mdp -c lipid_protein.gro -p topology.top -o test.tpr
> 
> 
> checking input for internal consistency...
> calling /lib/cpp...
> processing topology...
> WARNING 1 [file "lipid.itp", line 14]:
>   Overriding atomtype LO
> WARNING 2 [file "lipid.itp", line 15]:
>   Overriding atomtype LOM
> WARNING 3 [file "lipid.itp", line 16]:
>   Overriding atomtype LNL
> WARNING 4 [file "lipid.itp", line 17]:
>   Overriding atomtype LC
> WARNING 5 [file "lipid.itp", line 18]:
>   Overriding atomtype LH1
> WARNING 6 [file "lipid.itp", line 19]:
>   Overriding atomtype LH2
> WARNING 7 [file "lipid.itp", line 20]:
>   Overriding atomtype LP
> WARNING 8 [file "lipid.itp", line 21]:
>   Overriding atomtype LOS
> WARNING 9 [file "lipid.itp", line 22]:
>   Overriding atomtype LP2
> WARNING 10 [file "lipid.itp", line 23]:
>   Overriding atomtype LP3
> Cleaning up temporary file grompp16bicP
> -------------------------------------------------------
> Program grompp_mpi, VERSION 3.3.1
> Source code file: fatal.c, line: 416
> 
> Fatal error:
> Too many warnings, grompp_mpi terminated
> -------------------------------------------------------
> 
> Please let me know how to get rid of this problem.
> 
> Thanks in advance
> 
> Regards
> Chandu
> 
> 
> 
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-- 
_________________________________________________________________
!!!! new E-mail address: patrick.fuchs at univ-paris-diderot.fr !!!!
Patrick FUCHS
Equipe de Bioinformatique Genomique et Moleculaire
INSERM U726, Universite Paris 7
Case Courrier 7113
2, place Jussieu, 75251 Paris Cedex 05, FRANCE
Tel : +33 (0)1-44-27-77-16 - Fax : +33 (0)1-43-26-38-30
Web Site: http://www.dsimb.inserm.fr/~fuchs