[gmx-users] Chromophore residue patch in gromacs
Peter C. Lai
pcl at uab.edu
Thu Jan 19 04:09:12 CET 2012
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:
> 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 (
> , 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 ..
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Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
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