[gmx-users] grompp warnings...

Erik Lindahl lindahl at stanford.edu
Fri Oct 11 04:21:39 CEST 2002

Eva Stefanekova wrote:

> Hi,
> I am trying to run MD for protein-lipid complex. I included in 
> topology file "protein.itp", "ffgmx.itp", "lipid.itp", "dmpc.itp".
> When I run preprocessing
> grompp -f em.mdp -c pro_lip.gro -p pro_lip.top -o pro_lip.tpr -maxwarn 
> 1000 grompp gives some warnings like :
> WARNING 1 [file "C:/gromacs/share/top/ffgmx.itp", line 6]:
>   Found another defaults entry, will use the last one
> WARNING 2 [file "C:/gromacs/share/top/ffgmxnb.itp", line 3]:
>   Overriding atomtype O
> WARNING 3 [file "C:/gromacs/share/top/ffgmxnb.itp", line 4]:
>   Overriding atomtype OM



It looks as if you are including the forcefield (ffgmx.itp) multiple 
times. You might be including it both in the main top file
and in one or more of the molecule itp files.



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