[gmx-users] Chromophore residue patch in gromacs

[Peter C. Lai]

Are you crosslinking the chromophore to an atom in residue 51?

Can you generate a correct topology without the chromophore as a check?

On 2012-01-19 11:50:37AM +0900, bharat gupta wrote:
> Hi,
> 
> I have been trying to attach the chromophore of GFP in charmm ff parameter
> files. The parameters have been obtained from a published article. After
> making the changes as per the documentation (
> http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field)
> , I am getting following error :-
> 
> Atom CG is used in an interaction of type atom in the topology
> database, but an atom of that name was not found in residue
> number 51
> 
> The chromophore residue number is 66, I don't understand why there is an
> error for residue 51 . Please help me in rectifying this error ..
> 
> Regards
> 
> -- 
> Bharat

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Peter C. Lai			| University of Alabama-Birmingham
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